SCHEMBL9422508

SCHEMBL9422508

O=C(NCc1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.68
CA2 P00918 2/20 0.64
ROCK2 O75116 1/20 0.63
RPS6KA5 O75582 1/20 0.63
MAP4K4 O95819 1/20 0.63
PRKCG P05129 1/20 0.63
PRKACA P17612 1/20 0.63
RPS6KB1 P23443 1/20 0.63
MAPK1 P28482 1/20 0.63
AKT1 P31749 1/20 0.63
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
PRKX P51817 1/20 0.63
PRKCD Q05655 1/20 0.63
PRKG2 Q13237 1/20 0.63
ROCK1 Q13464 1/20 0.63
DYRK1A Q13627 1/20 0.63
PRKG1 Q13976 1/20 0.63
PKN2 Q16513 1/20 0.63
CDC42BPA Q5VT25 1/20 0.63

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
SCHEMBL29123739 0.93 L3MBTL1 (0.71) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL29258273 0.88 NAMPT (0.70)
SCHEMBL1569157 0.88 L3MBTL1 (0.77) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL30828595 0.86 MMP13 (0.88) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL4503327 0.85 MMP13 (0.69) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL7967175 0.84 ALDH1A1 (0.55) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL95976 0.83 MMP13 (0.68) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL28309717 0.83 CA2 (0.68) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL171661 0.83 SMN1; SMN2 (0.83) MMP13CA2ROCK2RPS6KA5MAP4K4
SCHEMBL11628868 0.83 CA2 (0.68) MMP13CA2ROCK2RPS6KA5MAP4K4

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
WO-1994027949-A1 NOVEL HYDROXYBIPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1994-12-08 WO disclosed