SCHEMBL8039052

SCHEMBL8039052

O=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
MAPT P10636 1/20 0.46
TMIGD3 P0DMS9 6/20 0.45
ADORA3 P0DMS8 4/20 0.45
EHMT2 Q96KQ7 2/20 0.44
EHMT1 Q9H9B1 1/20 0.44
ADORA1 P30542 3/20 0.43
ADORA2A P29274 2/20 0.43
GRM5 P41594 4/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL8034915 0.91 MAPT (0.46) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL8022999 0.90 MAPT (0.42) MAPTTMIGD3ADORA3EHMT2EHMT1
SCHEMBL8038398 0.89 TMIGD3 (0.46) HDAC1MAPTTMIGD3ADORA3ADORA1
SCHEMBL8038965 0.89 TMIGD3 (0.50) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL28428243 0.89 ADORA3 (0.56) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL8038958 0.87 MAPT (0.40) MAPTTMIGD3ADORA3EHMT2EHMT1
SCHEMBL8032750 0.85 ADORA3 (0.49) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL8021617 0.83 TMIGD3 (0.45) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL8039049 0.83 TMIGD3 (0.45) MAPTTMIGD3ADORA3ADORA1GRM5
SCHEMBL8038333 0.83 ALDH1A1 (0.53) MAPTTMIGD3ADORA3GRM5NPC1

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-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed