SCHEMBL7062638

SCHEMBL7062638

COC(=O)C1(C)C=CC(c2cccs2)S1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
BRDT Q58F21 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ADORA2B P29275 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7062104 0.84 ALDH1A1 (0.35) BRD4ALDH1A1MEN1MAPTKMT2A
SCHEMBL7589063 0.71 BRD4 (0.34) BRD4BRDTUSP2ALDH1A1MEN1
SCHEMBL19436423 0.70 ALDH1A1 (0.34) BRD4ALDH1A1MEN1MAPTKMT2A
SCHEMBL668173 0.68 MEN1 (0.34) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL7062683 0.68 LMNA (0.32) ALDH1A1MEN1MAPTKMT2A
SCHEMBL2788715 0.67 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL15525622 0.67 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL15568368 0.67 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL3373110 0.67 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8411178 0.65 MEN1 (0.32) ALDH1A1MEN1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed