SCHEMBL16627746

SCHEMBL16627746

O=C(F)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.58
DDO Q99489 1/20 0.58
BRD4 O60885 1/20 0.53
SMYD3 Q9H7B4 2/20 0.51
PADI4 Q9UM07 2/20 0.50
KDR P35968 2/20 0.50
FLT3 P36888 2/20 0.50
CHEK1 O14757 1/20 0.50
KDM4E B2RXH2 5/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
SRD5A2 P31213 1/20 0.49
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47

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
SCHEMBL1367711 0.85 DAO (0.61) DAODDOBRD4SMYD3PADI4
SCHEMBL31394 0.84 KDM4E (0.59) DAODDOBRD4SMYD3PADI4
SCHEMBL29364659 0.84 KDM4E (0.59) DAODDOBRD4SMYD3PADI4
SCHEMBL29390425 0.82 DAO (0.58) DAODDOBRD4SMYD3PADI4
SCHEMBL5464080 0.82 DAO (0.58) DAODDOBRD4SMYD3PADI4
SCHEMBL29537 0.82 DAO (0.58) DAODDOBRD4SMYD3PADI4
Fluoride SCHEMBL29664116 0.82 KDM4E (0.58) DAODDOBRD4SMYD3PADI4
Hydrochloric Acid SCHEMBL5027809 0.82 KDM4E (0.58) DAODDOBRD4SMYD3PADI4
SCHEMBL29505966 0.82 DAO (0.58) DAODDOBRD4SMYD3PADI4
SCHEMBL16627751 0.82 DAO (0.58) DAODDOBRD4SMYD3PADI4

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