SCHEMBL16627640

SCHEMBL16627640

O=c1[nH]c2ccccc2cc1Nc1ccc([SH](=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
KDR P35968 2/20 0.43
CHEK1 O14757 1/20 0.43
PYGM P11217 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MMP2 P08253 4/20 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
SCHEMBL16627639 0.86 PYGM (0.55) BRD4DAODDOKDRCHEK1
SCHEMBL16627647 0.84 DAO (0.54) BRD4DAODDOKDRCHEK1
SCHEMBL16627659 0.84 BRD4 (0.58) BRD4DAODDOKDRCHEK1
SCHEMBL16627633 0.83 BRD4 (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL16627631 0.80 BRD4 (0.43) BRD4DAODDOKDRCHEK1
SCHEMBL16627634 0.80 DAO (0.46) BRD4DAODDOKDRCHEK1
SCHEMBL16627660 0.79 HPGD (0.50) BRD4KDM4EMAPTGAAHPGD
SCHEMBL16627731 0.78 BRD4 (0.55) BRD4DAODDOKDRCHEK1
SCHEMBL16627732 0.78 DAO (0.55) BRD4DAODDOKDRCHEK1
SCHEMBL12909532 0.73 BRD4 (0.59) BRD4DAODDOKDRCHEK1

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