SCHEMBL16627827

SCHEMBL16627827

COc1ccc(CNC(=O)c2cc3ccccc3n(CCC3CC(C)=C(C)C3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.49
RXFP1 Q9HBX9 3/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL16627770 0.75 KMT2A (0.57) AHRKDM4ESMN1; SMN2TP53KMT2A
SCHEMBL16627705 0.72 MEN1 (0.49) SMN1; SMN2NPC1RAB9AKMT2ACNR2
SCHEMBL16627829 0.72 KMT2A (0.49) AHRKDM4ESMN1; SMN2TP53KMT2A
SCHEMBL16627590 0.72 NPC1 (0.49) AHRRXFP1KDM4EMAPK1HTT
SCHEMBL16627581 0.70 CNR1 (0.54) AHRKDM4EKMT2ACNR2CNR1
SCHEMBL16627834 0.70 KMT2A (0.53) KDM4EHTTSMN1; SMN2TP53KMT2A
SCHEMBL5434347 0.70 RECQL (0.56) AHRRXFP1KDM4ETP53NPC1
SCHEMBL16627676 0.69 P2RX4 (0.52) AHRKDM4EMAPK1SMN1; SMN2KMT2A
SCHEMBL16627830 0.68 CNR1 (0.47) AHRKDM4ESMN1; SMN2TP53KMT2A
SCHEMBL27806397 0.68 P2RX4 (0.51) AHRMAPK1SMN1; SMN2TP53KMT2A

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