SCHEMBL4340973

SCHEMBL4340973

CCC(Oc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
CAMKK2 Q96RR4 3/20 0.36
CHUK O15111 2/20 0.36
INSR P06213 2/20 0.36
MAPK8 P45983 2/20 0.36
CHRNA3 P32297 1/20 0.35
CDC7 O00311 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
ABL1 P00519 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL4344137 0.87 BRD4 (0.43) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL4357005 0.86 BRD4 (0.42) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL4351733 0.80 BRD4 (0.41) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL13685462 0.78 BRD4 (0.47) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL2197555 0.78 BRD4 (0.49) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL2201065 0.77 KDM4E (0.51) CAMKK2CHUKINSRMAPK8
SCHEMBL2196927 0.77 CDC7 (0.54) BRD4CAMKK2CHUKINSRMAPK8
SCHEMBL2199670 0.77 ALDH1A1 (0.53) CHRNA3
SCHEMBL2198991 0.77 KDM4E (0.53) CAMKK2CHUKINSRMAPK8CHRNA3
SCHEMBL2198470 0.76 BRD4 (0.47) BRD4CAMKK2CHUKINSRMAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed