SCHEMBL8568517

SCHEMBL8568517

O=C(Cn1c2ccccc2n2ccnc12)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.41
GUSB P08236 2/20 0.40
RAB9A P51151 5/20 0.40
CXCR3 P49682 5/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL8568782 0.86 ALPG (0.54) CTSDL3MBTL1
SCHEMBL8865006 0.80 F2R (0.59) KMT2A
SCHEMBL8567175 0.77 POLB (0.55) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL8568760 0.75 MAPT (0.56) RAB9AALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL21912954 0.70 GABRA5 (0.44) RAB9AALDH1A1NPC1KDM4EHPGD
Bromide SCHEMBL6746472 0.66 MAPT (0.72) RAB9ACXCR3ALDH1A1NPC1KDM4E
SCHEMBL13979176 0.62 CYP19A1 (0.74) L3MBTL1
SCHEMBL21325569 0.62 DDB1 (0.44) ALDH1A1KDM4EHPGD
SCHEMBL14373251 0.61 CXCR3 (0.81) RAB9ACXCR3NPC1KDM4ESMN1; SMN2
SCHEMBL11256989 0.60 APEX1 (0.79) RAB9AALDH1A1NPC1KDM4EHPGD

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-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed