SCHEMBL4436617

SCHEMBL4436617

Cc1cc(C)n(C(=S)SS)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ENPP3 O14638 5/20 0.42
ALPL P05186 5/20 0.42
XIAP P98170 5/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.39
F12 P00748 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL4436614 0.84 TSHR (0.47) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL23564547 0.78 ALDH1A1 (0.43) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL17675171 0.78 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL21619453 0.77 TSHR (0.45) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24982075 0.77 TSHR (0.45) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL29087084 0.76 TSHR (0.47) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL23564670 0.74 TSHR (0.39) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28981274 0.74 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28946984 0.74 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL19479233 0.74 TSHR (0.48) TSHRALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090269683-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND COLOR FILTERS JSR CORPORATION (JP) 2009-10-29 US disclosed