SCHEMBL16627712

SCHEMBL16627712

O=Cc1ccc(C(=O)n2c(=O)c(C(=O)NCc3ccc(F)cc3)cc3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CNR2 P34972 4/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
AHR P35869 1/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 2/20 0.41
PTGER4 P35408 1/20 0.40

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
SCHEMBL16627696 0.86 LMNA (0.49) CNR1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL16627695 0.86 HTT (0.45) CNR1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL16627833 0.78 TDP1 (0.50) HTTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL16627881 0.77 SMN1; SMN2 (0.50) CNR1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL16627590 0.76 NPC1 (0.49) HTTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL2165925 0.73 EPHX2 (0.69) SMN1; SMN2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL5434666 0.70 ELANE (0.55) CNR1HTTSMN1; SMN2KMT2AMEN1
SCHEMBL16627836 0.70 NR1H2 (0.42) CNR1HTTKMT2AMEN1CNR2
SCHEMBL16236935 0.68 MAOB (0.55) CNR1SMN1; SMN2KMT2AMEN1CNR2
SCHEMBL16627714 0.67 SMN1; SMN2 (0.43) CNR1HTTSMN1; SMN2KMT2AMEN1

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