SCHEMBL16627797

SCHEMBL16627797

CCSCNc1cc2ccccc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
KDM4E B2RXH2 10/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
HIF1A Q16665 1/20 0.42
KDR P35968 2/20 0.42
CHEK1 O14757 1/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL16627856 0.83 BRD4 (0.54) BRD4DAODDOKDM4EALDH1A1
SCHEMBL16627809 0.81 BRD4 (0.51) BRD4DAODDOKDM4EALDH1A1
SCHEMBL7591960 0.77 MMP2 (0.50) BRD4DAODDOKDM4EALDH1A1
SCHEMBL1772475 0.77 BRD4 (0.46) BRD4DAODDOKDM4EALDH1A1
SCHEMBL16627871 0.76 KDM4E (0.47) BRD4DAODDOKDM4EALDH1A1
SCHEMBL16627630 0.76 SMYD3 (0.49) BRD4DAODDOKDM4EALDH1A1
SCHEMBL12909532 0.75 BRD4 (0.59) BRD4DAODDOKDM4EALDH1A1
SCHEMBL28100952 0.72 DAO (0.49) BRD4DAODDOKDM4EALDH1A1
SCHEMBL16627733 0.71 MAPT (0.45) BRD4DAODDOKDM4EALDH1A1
SCHEMBL12890517 0.71 BRD4 (0.54) 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