SCHEMBL880924

SCHEMBL880924

Cc1ccc2cc(-c3cc(N)ccc3C)c(=O)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.49
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 1/20 0.42
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G7 Q13093 1/20 0.38
RAF1 P04049 1/20 0.38
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL502548 0.80 SRC (0.47) BRPF1ALDH1A1RAB9ANPC1TSHR
SCHEMBL502110 0.78 SRC (0.51) BRPF1ALDH1A1RAB9ANPC1TSHR
SCHEMBL854684 0.76 SRC (0.44) BRPF1ALDH1A1RAB9ANPC1TSHR
SCHEMBL12992386 0.76 BRPF1 (0.75) BRPF1KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL19448891 0.75 BRPF1 (0.54) BRPF1KDM4EALDH1A1HSD17B10TP53
SCHEMBL11826135 0.72 BRPF1 (0.47) BRPF1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL30092397 0.69 PLA2G7 (0.65) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL8848693 0.69 PLA2G7 (0.65) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL31607621 0.69 PLA2G7 (0.65) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL24885903 0.69 SRC (0.58) RAF1FGFR1SRC

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
EP-2252612-B1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2012-03-28 EP disclosed