SCHEMBL8346292

SCHEMBL8346292

OCc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.43
▸ CBFB Q13951 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL8344662 0.86 KDM4E (0.40) F10HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL3861744 0.85 F10 (0.47) F10HSD17B10KDM4EALDH1A1HPGD
SCHEMBL3873919 0.80 PDE2A (0.45) F10
SCHEMBL8347891 0.79 L3MBTL1 (0.47) F10HSD17B10NPC1NFKB1RAB9A
SCHEMBL8344703 0.79 ALDH1A1 (0.46) F10HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL3863014 0.77 CSNK2A2 (0.49) F10KDM4ENPC1ALDH1A1HPGD
SCHEMBL8348316 0.76 F10 (0.43) F10HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL8344485 0.76 RHEB (0.49) F10HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL27606051 0.76 F10 (0.43) F10HSD17B10KDM4ENPC1ALDH1A1
SCHEMBL12922914 0.74 F10 (0.47) F10ALDH1A1

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
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — WO disclosed
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