SCHEMBL8829992

SCHEMBL8829992

[CH2]c1nc2ccccn2c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
NPC1 O15118 4/20 0.52
GAA P10253 4/20 0.52
HSD17B10 Q99714 3/20 0.52
GLA P06280 2/20 0.52
HPGD P15428 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
DPP4 P27487 1/20 0.41
CDK4 P11802 1/20 0.40
CDK2 P24941 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
SCHEMBL266148 0.79 KMT2A (0.58) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL26359012 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL14685183 0.76 KDM4E (0.56) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL18459077 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL9923883 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL25889552 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL6479532 0.76 KMT2A (0.54) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL6479440 0.73 KDM4E (0.49) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL297730 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1GAAHSD17B10
SCHEMBL12349885 0.73 NPC1 (0.76) ALDH1A1KDM4ENPC1GAAHSD17B10

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
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed