SCHEMBL2733440

SCHEMBL2733440

C=CCn1c(C)cc2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.50
HPGD P15428 7/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 9/20 0.47
HSD17B10 Q99714 6/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA2B P29275 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
SIRT2 Q8IXJ6 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
SCHEMBL12506518 0.80 KDM4E (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL11854791 0.78 SIRT2 (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL31219282 0.77 PARP1 (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL6428552 0.77 PARP1 (0.48) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL10550088 0.75 SMN1; SMN2 (0.61) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL2731836 0.74 TDP1 (0.62) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL13180854 0.71 HSD17B10 (0.53) KDM4EHPGDKMT2AALDH1A1HSD17B10
SCHEMBL22215814 0.70 CYP3A4 (0.50) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL6827523 0.69 CYP3A4 (0.54) KDM4EHPGDKMT2AMEN1ALDH1A1
SCHEMBL14846515 0.69 KDM4E (0.51) KDM4EHPGDKMT2AALDH1A1HSD17B10

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-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed