SCHEMBL16627707

SCHEMBL16627707

COc1ccc(CC(=O)Nc2cccc3c2cc(C(=O)NCCc2ccccc2)c(=O)n3Cc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.57
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL16627790 0.82 P2RX7 (0.70) P2RX7MAPTSMN1; SMN2KMT2APOLB
SCHEMBL16627791 0.78 P2RX7 (0.69) P2RX7MAPTKMT2ANPC1RAB9A
SCHEMBL16627581 0.77 CNR1 (0.54) KMT2AMEN1KDM4EALDH1A1HDAC1
SCHEMBL16627834 0.77 KMT2A (0.53) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL16627637 0.75 NPC1 (0.48) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL16627878 0.73 P2RX7 (0.49) P2RX7MAPTSMN1; SMN2KMT2APOLB
SCHEMBL16627736 0.72 NPC1 (0.50) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL16627655 0.72 NPC1 (0.52) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL16627816 0.72 P2RX7 (0.48) P2RX7MAPTSMN1; SMN2POLBKDM4E
SCHEMBL16627684 0.72 PLCG2 (0.48) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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