SCHEMBL6284988

SCHEMBL6284988

C=CCN1C(C)c2ccccc2NC(=O)C1c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
IDO1 P14902 3/20 0.39
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.35
MTNR1A P48039 1/20 0.34
TDO2 P48775 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6289027 0.78 IDO1 (0.41) IDO1KDM4ENPC1RXFP1ATM
SCHEMBL6280070 0.74 PRCP (0.42) PRCPIDO1KDM4EGAATDO2
SCHEMBL6280066 0.74 PRCP (0.42) PRCPIDO1KDM4EGAATDO2
SCHEMBL6280077 0.74 PRCP (0.42) PRCPIDO1KDM4EGAATDO2
SCHEMBL18025752 0.70 IDO1 (0.51) IDO1KDM4ENPC1RXFP1ATM
SCHEMBL9541310 0.66 IDO1 (0.50) IDO1KDM4EATMMTNR1AMEN1
SCHEMBL6243496 0.64 IDO1 (0.46) IDO1KDM4ENPC1GAATDO2
SCHEMBL1455790 0.64 IDO1 (0.58) IDO1KDM4EGAAATMTDO2
SCHEMBL166517 0.64 IDO1 (0.43) IDO1KDM4EGAATDO2MEN1
SCHEMBL260994 0.62 BRPF1 (0.53) IDO1KDM4ENPC1GAATDO2

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-6927294-B1 Nitrogen-containing heterocycles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-09 US disclosed