SCHEMBL738462

SCHEMBL738462

COc1cc(CSCc2ccc(N=C=O)c(OC)c2)ccc1N=C=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
HPGD P15428 1/20 0.61
CA2 P00918 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
LDHA P00338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
TRPA1 O75762 1/20 0.33
CA12 O43570 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17787467 0.85 CYP3A4 (0.67) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL374656 0.85 ALDH1A1 (0.67) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL9623466 0.85 ALDH1A1 (0.43) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL2143492 0.84 ALDH1A1 (0.41) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL19308541 0.83 CYP3A4 (0.63) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL483572 0.80 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL11668310 0.79 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL181315 0.79 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL16313427 0.78 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDCA2
SCHEMBL14992 0.76 CYP3A4 (1.00) CYP3A4ALDH1A1TDP1HPGDCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 222 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767467-B2 Photochromic compound and curable composition containing said photochromic compound TOKUYAMA CORPORATION (JP) 2023-09-26 US disclosed
EP-2970554-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2023-09-20 EP disclosed
EP-3345954-B1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE TOKUYAMA CORP (JP) 2023-07-05 EP disclosed
US-20230120549-A1 Polyurethanes, Articles and Coatings Prepared Therefrom and Methods of Making the Same PPG INDUSTRIES OHIO, INC. 2023-04-20 US disclosed
EP-3653615-B1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING SAME, AND OPTICAL ARTICLE COMPRISING CURED PRODUCT FORMED OF CURABLE COMPOSITION TOKUYAMA CORP (JP) 2023-03-01 EP disclosed
US-11591436-B2 Polyurethane article and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2023-02-28 US disclosed
US-11578174-B2 Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane TOKUYAMA CORPORATION (JP) 2023-02-14 US disclosed
US-20220119581-A1 Aircraft Windows PPG INDUSTRIES, INC. 2022-04-21 US disclosed
US-11248083-B2 Aircraft windows PPG INDUSTRIES OHIO, INC. (US) 2022-02-15 US disclosed
US-11149107-B2 Polyurethanes, articles and coatings prepared therefrom and methods of making the same PPG INDUSTRIES OHIO, INC. (US) 2021-10-19 US disclosed
EP-0378895-B1 A MERCAPTO COMPOUND, A HIGH REFRACTIVE INDEX RESIN AND LENS AND A PROCESS FOR PREPARING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-07-14 EP disclosed
US-5194559-A Reacting compounds containing isocyanate and isothiocyanate groups with polyol and polythiol; colorlrss, transparent MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-16 US disclosed
US-5191055-A Polythiourethanes MITSUI TOATSU CHEMICALS, INC. (JP) 1993-03-02 US disclosed
EP-0528590-A1 Mercapto compound, its preparation process, and sulfur-containing urethane resins and lenses using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-24 EP disclosed
EP-0506315-A2 Optical urethane resins and plastic lenses comprising the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-30 EP disclosed
EP-0505150-A1 Stabilizing method of isocyanate compounds and isocyanate compositions stabilized thereby MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-23 EP disclosed
US-4946923-A S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens MITSUI TOATSU CHEMICALS, INC. (JP) 1990-08-07 US disclosed
US-4929707-A Polyurethane base lens resin, plastic lens comprising the resin and preparation method of the lens MITSUI TOATSU CHEMICALS, INC. (JP) 1990-05-29 US disclosed
EP-0329389-A2 Polyurethane base lens and its preparation method MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-23 EP disclosed
EP-0329386-A2 S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-23 EP disclosed