SCHEMBL6178336

SCHEMBL6178336

O=Cc1sc2cc3c(cc2c1Cl)OCO3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 3/20 0.35
PPP1CA P62136 1/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL6176694 0.76 MAOB (0.39) ALDH1A1TDP1HSD17B10HPGDMAPT
SCHEMBL3753518 0.73 RAB9A (0.50) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL13662606 0.73 RAB9A (0.50) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL7866168 0.73 MCL1 (0.55) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL5242917 0.72
SCHEMBL3746484 0.71 NPC1 (0.35) ALDH1A1TDP1HSD17B10HPGDLMNA
SCHEMBL3747084 0.71 NPC1 (0.38) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL13659599 0.71 MAPT (0.48) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL5017261 0.70 BCL2L1 (0.55) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL7388558 0.70 STING1 (0.48) ALDH1A1TDP1HSD17B10LMNAMAPT

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-1092716-B1 Derivatives of benzothiophenes, benzofurans and indoles, method for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-02-16 EP disclosed
US-6302837-B1 ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-10-16 US disclosed
EP-1092716-A2 Derivatives of benzothiophenes, benzofurans and indoles, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-04-18 EP disclosed