SCHEMBL7834232

SCHEMBL7834232

Clc1ccc(OCc2nc3cc(-n4ccnc4)ccc3[nH]2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
USP2 O75604 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRS3 P32247 1/20 0.44
F9 P00740 1/20 0.43
IDH1 O75874 1/20 0.43
NOTUM Q6P988 1/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CBFB Q13951 1/20 0.39
LMNA P02545 1/20 0.38
NCOA3 Q9Y6Q9 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
Hydrochloric Acid SCHEMBL8149760 0.99 RAB9A (0.47) RAB9ANPC1USP2MEN1MAPT
SCHEMBL7834239 0.92 MEN1 (0.55) RAB9ANPC1USP2MEN1MAPT
Hydrochloric Acid SCHEMBL8149767 0.91 USP2 (0.54) RAB9ANPC1USP2MEN1MAPT
SCHEMBL7834555 0.86 RAB9A (0.55) RAB9ANPC1MEN1KMT2AF9
Hydrochloric Acid SCHEMBL8149742 0.85 RAB9A (0.54) RAB9ANPC1MEN1KMT2AF9
SCHEMBL7834174 0.83 F9 (0.44) RAB9ANPC1MAPTF9IDH1
Hydrochloric Acid SCHEMBL8157010 0.82 F9 (0.44) RAB9ANPC1MAPTF9IDH1
SCHEMBL7821729 0.80 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8159907 0.79 RAB9A (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7836452 0.79 MAOA (0.44) RAB9ANPC1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed