SCHEMBL28414585

SCHEMBL28414585

Nc1ccc(-c2ncc(N)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APP P05067 10/20 0.43
▸ GAA P10253 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MMP9 P14780 1/20 0.43

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
SCHEMBL27667559 0.83 NOTUM (0.53) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL23367954 0.83 APP (0.44) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL5154428 0.83 ALDH1A1 (0.49) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL2684464 0.81 KDM4E (0.52) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL20641446 0.79 SNCA (0.56) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL31219241 0.79 NOS1 (0.48) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL31341111 0.79 APP (0.44) APPGAA
SCHEMBL15998127 0.78 NOS1 (0.36) ALDH1A1HPGD
SCHEMBL15547000 0.75 ALDH1A1 (0.47) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL31312542 0.75 HSD17B1 (0.53) MAPTKDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111263756-A RAD51 inhibitors 赛泰尔治疗公司 2020-06-09 — — CN disclosed
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