SCHEMBL6289027

SCHEMBL6289027

CC(C)N1C(C)c2ccccc2NC(=O)C1c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
KDM4E B2RXH2 7/20 0.38
NPC1 O15118 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.35
TDO2 P48775 1/20 0.35
BRPF1 P55201 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP2 O95551 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6284988 0.78 PRCP (0.44) IDO1KDM4ENPC1RXFP1MAPT
SCHEMBL18025752 0.71 IDO1 (0.51) IDO1KDM4ENPC1RXFP1MAPT
SCHEMBL9541310 0.67 IDO1 (0.50) IDO1KDM4EMAPTMEN1KMT2A
SCHEMBL6220534 0.65 BRPF1 (0.52) IDO1KDM4ENPC1MAPTTDP1
SCHEMBL19054962 0.63 BRPF1 (0.53) IDO1KDM4ENPC1MAPTTDP1
SCHEMBL260994 0.63 BRPF1 (0.53) IDO1KDM4ENPC1MAPTTDP1
SCHEMBL30088920 0.63 BRPF1 (0.53) IDO1KDM4ENPC1MAPTTDP1
SCHEMBL23836089 0.63 IDO1 (0.46) IDO1KDM4EMAPTTDP1MEN1
SCHEMBL2520126 0.63 HTR5A (0.43) IDO1KMT2ABRPF1CREBBPALDH1A1
SCHEMBL29915930 0.63 HTR5A (0.43) IDO1KMT2ABRPF1CREBBPALDH1A1

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