SCHEMBL7388558

SCHEMBL7388558

COc1cc2sc(C=O)c(Cl)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.48
MAOA P21397 1/20 0.41
ALDH1A1 P00352 7/20 0.40
TSHR P16473 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PRKDC P78527 2/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
ERN1 O75460 1/20 0.37
PRNP P04156 1/20 0.35
MAPK1 P28482 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL21247507 0.79 MAPK1 (0.58) ALDH1A1TSHRKDM4EMAPTMEN1
SCHEMBL7395105 0.74 L3MBTL1 (0.45) STING1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13518417 0.72 MAOA (0.50) STING1MAOAALDH1A1TSHRKDM4E
SCHEMBL5017261 0.72 BCL2L1 (0.55) ALDH1A1KDM4ETDP1MAPTMEN1
SCHEMBL7397524 0.72 STING1 (0.48) STING1MAOAALDH1A1TSHRKDM4E
SCHEMBL7030415 0.72 STING1 (0.39) STING1ALDH1A1ERN1
SCHEMBL3222046 0.71 KDM4E (0.46) ALDH1A1KDM4ETDP1MAPTL3MBTL1
SCHEMBL5224932 0.71 STING1 (0.69) STING1MAOAALDH1A1TSHRKDM4E
SCHEMBL1609773 0.71 STING1 (0.65) STING1MAOAALDH1A1TSHRKDM4E
SCHEMBL1609028 0.70 STING1 (0.63) STING1ALDH1A1TSHRKDM4EMAPT

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-0955299-B1 Benzothiophene, benzofurane and indole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-13 EP disclosed
US-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 US disclosed
EP-0955299-A1 Benzothiophene, benzofurane and indole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-11-10 EP disclosed