SCHEMBL23618940

SCHEMBL23618940

Ic1ccc2c(c1)nnn2-c1ccc2nncn2c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MLLT1 Q03111 2/20 0.34
DNMT1 P26358 1/20 0.33
SCN5A Q14524 1/20 0.32
MAOB P27338 1/20 0.30

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
SCHEMBL23618933 0.72 L3MBTL1 (0.38) KDM4ENPC1L3MBTL1
SCHEMBL23619049 0.71 LRRK2 (0.39) KDM4ENPC1L3MBTL1
SCHEMBL5250334 0.71 DNMT1 (0.46) KDM4EMLLT1DNMT1SCN5AMAOB
SCHEMBL23618941 0.69 IDO1 (0.41) KDM4ENPC1L3MBTL1
SCHEMBL23618929 0.66 KDM4E (0.37) KDM4ENPC1L3MBTL1
SCHEMBL23618942 0.66 KDM4E (0.40) KDM4ENPC1L3MBTL1
SCHEMBL10069688 0.62 SMN1; SMN2 (0.54) KDM4ENPC1L3MBTL1
SCHEMBL23619041 0.62 RAB9A (0.67) KDM4ENPC1L3MBTL1
SCHEMBL18911786 0.62 HCAR3 (0.54) KDM4ENPC1
SCHEMBL1599397 0.60 SMN1; SMN2 (0.38) KDM4E

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
WO-2021136431-A1 BENZO[D][1,2,3]TRIAZOLE ETHER COMPOUND 南京明德新药研发有限公司 2021-07-08 WO disclosed