SCHEMBL6844012

SCHEMBL6844012

Cc1cc(N=C=O)ccc1Sc1ccc(N=C=O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.56
TRPA1 O75762 1/20 0.56
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.33
AR P10275 1/20 0.32
HTR1A P08908 2/20 0.30
HTR3A P46098 2/20 0.30
HAO1 Q9UJM8 1/20 0.30
NOTUM Q6P988 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11680555 0.89 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL484046 0.85 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL27359983 0.84 CYP3A4 (0.51) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL27875473 0.81 TRPA1 (0.42) CYP3A4TRPA1TDP1MAPK1AR
SCHEMBL58809 0.79 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28119799 0.79 CYP3A4 (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL667517 0.78 CYP3A4 (0.62) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL11014172 0.77 CYP3A4 (0.45) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL740707 0.77 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29466689 0.77 CYP3A4 (0.61) CYP3A4TRPA1TDP1MAPK1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210418-A1 THERMOSETTING COMPOSITION, CURED PRODUCT, AND OPTICAL MEMBER 富士フイルム株式会社 2023-11-02 WO disclosed
US-20220204685-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MEMBERS, OPTICAL MEMBER, AND COLORED OPTICAL MEMBER HOYA LENS THAILAND LTD. (TH) 2022-06-30 US disclosed
US-9482787-B2 Polymerizable composition MITSUI CHEMICALS, INC. (JP) 2016-11-01 US disclosed
EP-2725045-A1 POLYMERIZABLE COMPOSITION Mitsui Chemicals, Inc. (JP) 2014-04-30 EP disclosed
US-6770735-B2 ORGANIC SULFIDES SUCH AS 1,1,3,3-TETRAKIS(MERCAPTOMETHYLTHIO) PROPANE, USED TO FORM RESINS HAVING HIGH REFRACTIVE INDEX, IMPACT STRENGTH AND HEAT REISTANCE, FOR USE AS LENSES, PRISMS OR OPTICAL FIBER AND FILTERS MITSUI CHEMICALS, INC. (JP) 2004-08-03 US disclosed
US-20030199668-A1 Process for preparing a thiol compound MITSUI CHEMICALS, INC. (JP) 2003-10-23 US 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