SCHEMBL4716161

SCHEMBL4716161

O=c1ccc2c(cc(-c3ccccc3O)n2Cc2cccc(Cl)c2)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CASR P41180 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CCR2 P41597 1/20 0.42
PGR P06401 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
ERCC5 P28715 1/20 0.41
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
LMNA P02545 1/20 0.40
PLA2G2A P14555 1/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL5119050 0.81 CCR2 (0.62) MAPTMAPK8MAPK9CCR2ERCC5
SCHEMBL4715213 0.79 CCR2 (0.51) MAPTMAPK8MAPK9CCR2ALDH1A1
SCHEMBL4717102 0.78 MAPK8 (0.46) MAPTMAPK8MAPK9CCR2PGR
SCHEMBL4717022 0.77 CCR2 (0.49) MAPTMAPK8MAPK9CCR2ALDH1A1
SCHEMBL4711188 0.77 BRD4 (0.53) MAPTMAPK8MAPK9CCR2ALDH1A1
SCHEMBL4715185 0.76 BRD4 (0.48) MAPTMAPK8MAPK9CCR2ALDH1A1
SCHEMBL4712174 0.75 MAPT (0.51) MAPTCCR2ALDH1A1LMNAKMT2A
SCHEMBL4712460 0.75 PTGS2 (0.51) MAPTCCR2ALDH1A1LMNAKMT2A
SCHEMBL4714910 0.74 CCR2 (0.46) MAPTMAPK8MAPK9CCR2ALDH1A1
SCHEMBL4716315 0.73 ALDH1A1 (0.47) MAPTEGLN1MAPK8MAPK9ALDH1A1

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-1549648-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS KINASE INHIBITORS UCB PHARMA SA (BE) 2008-11-12 EP disclosed