SCHEMBL16627730

SCHEMBL16627730

O=C(NCc1ccc(-c2ccccc2)cc1)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.57
NR2F2 P24468 1/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PDE2A O00408 1/20 0.54
CNR1 P21554 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOB P27338 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
SMYD3 Q9H7B4 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL34468710 0.92 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL34468745 0.88 KMT2A (0.65) KDM4EALDH1A1HPGDHSD17B10EGLN1
SCHEMBL16627711 0.88 HTT (0.57) KDM4EALDH1A1HPGDHSD17B10CNR1
SCHEMBL34468782 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CNR1
SCHEMBL16627888 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL34468828 0.84 MAPT (0.62) KDM4EALDH1A1HPGDHSD17B10CNR1
SCHEMBL31653933 0.84 ERCC1 (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL34468871 0.83 SMN1; SMN2 (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL34468780 0.83 SMYD3 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL34468864 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1

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