SCHEMBL7801958

SCHEMBL7801958

COc1cccc(C(NC(C)c2ccc(F)c(F)c2)c2cc(Nc3c(O)c(=O)c3=O)ccc2OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
MAPKAPK2 P49137 1/20 0.38
CXCR2 P25025 5/20 0.37
KCNB1 Q14721 1/20 0.36
PRKACA P17612 3/20 0.34
AKT1 P31749 3/20 0.34
ROCK1 Q13464 3/20 0.34
PRKG1 Q13976 3/20 0.34
MAP4K4 O95819 2/20 0.34
PRKCG P05129 2/20 0.34
CDK1 P06493 2/20 0.34
RPS6KB1 P23443 2/20 0.34
CDK2 P24941 2/20 0.34
MAPK1 P28482 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
IRAK1 P51617 2/20 0.34
RPS6KA3 P51812 2/20 0.34

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
SCHEMBL7801234 0.91 THRA (0.36) MEN1KMT2APOLBCXCR2LMNA
SCHEMBL7801984 0.89 CXCR2 (0.36) MEN1KMT2APOLBMAPKAPK2CXCR2
SCHEMBL7785017 0.88 MEN1 (0.39) MEN1KMT2APOLBMAPKAPK2CXCR2
SCHEMBL7780084 0.87 MAPKAPK2 (0.38) MEN1KMT2APOLBMAPKAPK2CXCR2
Hydrochloric Acid SCHEMBL7795516 0.84 THRA (0.37) MEN1KMT2APOLBMAPKAPK2CXCR2
SCHEMBL7795354 0.84 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2CXCR2
SCHEMBL7780576 0.84 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2CXCR2
SCHEMBL7802013 0.84 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2CXCR2
Hydrochloric Acid SCHEMBL7801297 0.83 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2CXCR2
Hydrochloric Acid SCHEMBL7802211 0.83 KMT2A (0.40) MEN1KMT2APOLBMAPKAPK2CXCR2

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-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed