SCHEMBL8344703

SCHEMBL8344703

Nc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.46
▸ SMN1; SMN2 Q16637 11/20 0.46
▸ HPGD P15428 10/20 0.46
▸ NPC1 O15118 9/20 0.46
▸ RAB9A P51151 9/20 0.46
▸ KDM4E B2RXH2 9/20 0.46
▸ MAPT P10636 9/20 0.46
▸ GAA P10253 8/20 0.46
▸ TP53 P04637 7/20 0.46
▸ GLA P06280 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ APP P05067 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ MCL1 Q07820 1/20 0.44

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 0.82 KDM4E (0.40) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8346292 0.79 F10 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL27606051 0.79 F10 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8344485 0.79 RHEB (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8348316 0.79 F10 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL28307753 0.79 MEN1 (0.58) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3863014 0.78 CSNK2A2 (0.49) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8344521 0.77 NPBWR1 (0.50) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4687144 0.75 F10 (0.40) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL3861744 0.75 F10 (0.47) ALDH1A1HPGDKDM4EMAPTMEN1

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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