SCHEMBL4351563

SCHEMBL4351563

NC(=O)Nc1[nH]c(-c2ccccc2Nc2ccc(N)cc2)cc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.60
SIRT2 Q8IXJ6 10/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SNCA P37840 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
MAPK14 Q16539 1/20 0.38
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2199584 0.87 BRD4 (0.56) BRD4SIRT2MAPTKDM4EALOX15
SCHEMBL2199582 0.81 BRD4 (0.40) BRD4MAPTGAAGFERRAB9A
SCHEMBL4351557 0.81 BRD4 (0.46) BRD4SIRT2MAPTKDM4ETP53
SCHEMBL2199580 0.78 BRD4 (0.41) BRD4
SCHEMBL2195873 0.77 BRD4 (0.47) BRD4MAPTKDM4EHPGDHSD17B10
SCHEMBL2201619 0.76 BRD4 (0.45) BRD4
SCHEMBL2196975 0.76 IKBKB (0.47) BRD4KDM4E
SCHEMBL2196845 0.76 CDC7 (0.51) BRD4RAB9A
SCHEMBL2198463 0.76 BRD4 (0.52) BRD4
SCHEMBL16044649 0.75 BRD4 (1.00) BRD4SIRT2SIRT1

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-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed