SCHEMBL8467441

SCHEMBL8467441

COc1ccc2c(C)c3c(c(-c4ccc(F)cc4)c2c1)C(=O)NC3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
MAOB P27338 2/20 0.45
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
ROCK2 O75116 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL8086720 0.92 PDGFRB (0.51) PDGFRBMAOBCDK4CCND1ROCK2
SCHEMBL8072592 0.81 MAPK13 (0.43) MAOBMAPK13MAPK12MAPK11MAPK14
SCHEMBL8086701 0.79 ALOX5 (0.46) PDGFRBMAOBCDK4CCND1MAPK13
SCHEMBL25544687 0.74 MAPK13 (0.48) MAOBMAPK13MAPK12MAPK11MAPK14
SCHEMBL13499834 0.73 MAPK14 (0.49) MAOBMAPK13MAPK12MAPK11MAPK14
SCHEMBL1379682 0.73 KCNA5 (0.55) MAOBMAPK13MAPK12MAPK11MAPK14
SCHEMBL8085117 0.72 ROCK2 (0.45) MAOBCDK4CCND1ROCK2ALDH1A1
SCHEMBL23896351 0.70 MAPK13 (0.47) MAOBMAPK13MAPK12MAPK11MAPK14
SCHEMBL18049442 0.70 PTGS2 (0.62) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8082188 0.69 ALOX5 (0.49) PDGFRBCDK4CCND1ROCK2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed