SCHEMBL16093528

SCHEMBL16093528

CCc1c(C)ccc(=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.36
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36
CA9 Q16790 1/20 0.36
KAT2B Q92831 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BLM P54132 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NQO2 P16083 2/20 0.33
PTGS2 P35354 1/20 0.31
CYP19A1 P11511 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL25015171 0.74 BRPF1 (0.33) BRPF1CA12BRD4CA9KAT2B
SCHEMBL10314053 0.72 BRPF1 (0.41) BRPF1CA12BRD4CA9KAT2B
SCHEMBL23371755 0.71 BRPF1 (0.38) BRPF1CA12BRD4CA9KAT2B
SCHEMBL14254506 0.70 BRPF1 (0.40) BRPF1CA12BRD4CA9KAT2B
SCHEMBL25075240 0.68 BRPF1 (0.39) BRPF1CA12BRD4CA9KAT2B
SCHEMBL16480136 0.67 ALDH1A1 (0.34) ALDH1A1CYP1A2HPGDHSD17B10LMNA
SCHEMBL20516707 0.67 GABRA1 (0.39) BRPF1CA12BRD4CA9KAT2B
SCHEMBL18931684 0.65
SCHEMBL17589202 0.65 BRPF1 (0.36) BRPF1CA12BRD4CA9KAT2B
SCHEMBL13560811 0.63 BRPF1 (0.58) BRPF1CA12BRD4CA9KAT2B

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-8841312-B2 Fused pyridine, pyrimidine and triazine compounds as cell cycle inhibitors AMGEN INC. (US) 2014-09-23 US disclosed