SCHEMBL6779494

SCHEMBL6779494

O=C(NCc1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
MMP13 P45452 2/20 0.61
ROCK2 O75116 3/20 0.59
ROCK1 Q13464 2/20 0.57
RPS6KA5 O75582 1/20 0.57
MAP4K4 O95819 1/20 0.57
PRKCG P05129 1/20 0.57
PRKACA P17612 1/20 0.57
RPS6KB1 P23443 1/20 0.57
MAPK1 P28482 1/20 0.57
AKT1 P31749 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCD Q05655 1/20 0.57
PRKG2 Q13237 1/20 0.57
DYRK1A Q13627 1/20 0.57
PRKG1 Q13976 1/20 0.57
PKN2 Q16513 1/20 0.57
CDC42BPA Q5VT25 1/20 0.57

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
SCHEMBL5209853 0.82 ROCK2 (0.52) KMT2AMMP13ROCK2SMN1; SMN2RAB9A
SCHEMBL27833527 0.80 KMT2A (0.70) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL30780061 0.79 HPGD (0.77) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL1568387 0.79 HPGD (0.77) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL1568246 0.79 SMN1; SMN2 (0.68) KMT2AROCK2MAPK1SMN1; SMN2RAB9A
SCHEMBL4658947 0.79 KMT2A (0.68) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL1568699 0.79 NAMPT (0.69) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL27833534 0.78 KMT2A (0.63) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL1569194 0.78 ROCK2 (0.82) KMT2AMMP13ROCK2ROCK1RPS6KA5
SCHEMBL5883325 0.77 KMT2A (0.55) KMT2ASMN1; SMN2RAB9AALDH1A1HPGD

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed