SCHEMBL16627659

SCHEMBL16627659

Cc1ccc(Nc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
CDC25B P30305 1/20 0.54
UBE2I P63279 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
EGFR P00533 1/20 0.46
DAO P14920 1/20 0.46
DDO Q99489 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL16627639 0.87 PYGM (0.55) BRD4CDC25BUBE2ISAE1UBA2
SCHEMBL16627731 0.85 BRD4 (0.55) BRD4CDC25BUBE2ISAE1UBA2
SCHEMBL16627647 0.85 DAO (0.54) BRD4MMP2MMP9MMP8MMP13
SCHEMBL16627633 0.84 BRD4 (0.46) BRD4RAB9ANPC1DAODDO
SCHEMBL16627640 0.84 BRD4 (0.45) BRD4CDC25BUBE2ISAE1UBA2
SCHEMBL16627631 0.81 BRD4 (0.43) BRD4CDC25BUBE2ISAE1UBA2
SCHEMBL16627634 0.81 DAO (0.46) BRD4MMP2MMP9MMP8MMP13
SCHEMBL16627660 0.80 HPGD (0.50) BRD4NPC1KDM4EMEN1KMT2A
SCHEMBL16627732 0.79 DAO (0.55) BRD4CDC25BRAB9ANPC1DAO
SCHEMBL12909532 0.77 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1

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
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed