SCHEMBL4351733

SCHEMBL4351733

CC(Oc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
CHUK O15111 4/20 0.37
MAPK8 P45983 4/20 0.37
CAMKK2 Q96RR4 4/20 0.37
INSR P06213 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CDC7 O00311 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL4344137 0.92 BRD4 (0.43) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL4357005 0.91 BRD4 (0.42) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL13685462 0.81 BRD4 (0.47) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL2199389 0.80 KDM4E (0.54) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL4340973 0.80 BRD4 (0.41) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL4344535 0.79 USP2 (0.55) CHUKMAPK8CAMKK2INSRKDM4E
SCHEMBL4339928 0.79 CCNT1 (0.37) BRD4KDM4EALDH1A1HPGD
SCHEMBL4350108 0.78 SLC9A1 (0.38) BRD4ALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL2196927 0.77 CDC7 (0.54) BRD4CHUKMAPK8CAMKK2INSR
SCHEMBL2198565 0.75 BRD4 (0.50) BRD4CHUKMAPK8CAMKK2INSR

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