SCHEMBL8640585

SCHEMBL8640585

COc1ccc(CC(=O)c2ccc(OC)cc2SC)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ HPGD P15428 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HSP90AA1 P07900 1/20 0.53
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 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
SCHEMBL1346046 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL224315 0.80 NPC1 (0.83) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL11365372 0.80 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL224762 0.80 NPC1 (0.88) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL1347033 0.79 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL4779632 0.79 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL19424137 0.78 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL16324583 0.77 HTT (0.67) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL2328514 0.77 NPC1 (0.48) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL4731182 0.76 NPC1 (0.86) SMN1; SMN2NPC1RAB9AHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 — — EP disclosed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 — — US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 — — WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 — — EP disclosed
Send feedback