SCHEMBL8640593

SCHEMBL8640593

COc1ccc(CC(=O)c2c(OC)csc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ HTT P42858 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ MAPK10 P53779 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ATM Q13315 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.43
▸ CTBP2 P56545 1/20 0.42

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
SCHEMBL3408972 0.72 NFKB1 (0.61) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL18170316 0.71 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL5623564 0.71 NPC1 (0.52) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL457954 0.71 NPC1 (0.73) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL8636985 0.71 TUBB1 (0.52) TDP1ALDH1A1CYP3A4HPGDMAPT
SCHEMBL224315 0.70 NPC1 (0.83) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL1224101 0.70 SLC5A1 (0.75) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL16324583 0.70 HTT (0.67) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL9137688 0.70 TUBB4A (0.50) RAB9AALDH1A1HPGDMAPT
SCHEMBL17672194 0.70 SMN1; SMN2 (0.56) SMN1; SMN2HTTNPC1RAB9ALMNA

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
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