SCHEMBL6325379

SCHEMBL6325379

O=C(O)CCc1nc(-c2ccsc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
MCL1 Q07820 1/20 0.60
LMNA P02545 1/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 3/20 0.57
TP53 P04637 3/20 0.56
MITF O75030 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.48
FFAR1 O14842 5/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
RAB9A P51151 1/20 0.45
KLF5 Q13887 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL4036650 0.81 TSHR (0.72) TSHRMCL1LMNAATMALDH1A1
SCHEMBL5330405 0.81 ALDH1A1 (0.83) TSHRMCL1LMNAATMALDH1A1
SCHEMBL6325165 0.78 TSHR (0.76) TSHRMCL1LMNAATMALDH1A1
SCHEMBL13401598 0.78 TSHR (0.67) TSHRMCL1LMNAATMALDH1A1
SCHEMBL1684613 0.77 TSHR (0.74) TSHRLMNAATMALDH1A1TP53
SCHEMBL5717662 0.77 TSHR (1.00) TSHRLMNAATMALDH1A1TP53
SCHEMBL6328232 0.77 TSHR (0.74) TSHRMCL1LMNAATMALDH1A1
SCHEMBL6332416 0.77 TSHR (0.74) TSHRMCL1LMNAATMALDH1A1
SCHEMBL1544070 0.76 CA2 (0.47) TSHRLMNAALDH1A1CYP1A2CYP2C19
SCHEMBL6326301 0.75 TSHR (0.63) TSHRMCL1LMNAATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058768-A1 MEMBRANE FOR WATER FILTRATION AQUAPORIN A/S (DK) 2024-02-22 US disclosed
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
US-6878278-B2 Composite membrane and method for making the same DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-12 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 WO disclosed
US-6337018-B1 COATING POROUS SUPPORT WITH SOLUTION OF POLYFUNCTIONAL AMINE AND SOLUTION OF POLYFUNCTIONAL ACYL HALIDE WHICH REACT TO FORM POLYAMIDE LAYER, INCLUDING STEP OF CONTACTING PHOSPHOROUS COMPOUND WITH ACYL HALIDE BEFORE REACTING WITH AMINE THE DOW CHEMICAL COMPANY 2002-01-08 US disclosed