SCHEMBL16627688

SCHEMBL16627688

O=C(CCc1ccccc1)Nc1cccc2[nH]c(=O)c(C(=O)Nc3ccccc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.48
CCKBR P32239 1/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ROCK2 O75116 1/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
ALOX15 P16050 1/20 0.43
MMP13 P45452 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
SCHEMBL16627678 0.82 PARP14 (0.52) MAPTGAAKMT2APOLBSMN1; SMN2
SCHEMBL16627819 0.82 BRD4 (0.54) MAPTKMT2APOLBRAB9ANPC1
SCHEMBL16627890 0.80 PARP14 (0.56) MAPTKMT2APOLBRAB9ANPC1
SCHEMBL16627818 0.77 RXFP1 (0.53) MAPTKMT2AMMP2MMP9MMP8
SCHEMBL16627817 0.77 KMT2A (0.51) MAPTKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL16627828 0.75 PARP14 (0.52) MAPTGAAHTTKMT2APOLB
SCHEMBL16627760 0.73 CCNA2 (0.45) GAAKMT2APOLBSMN1; SMN2KDM4E
SCHEMBL16627690 0.73 RXFP1 (0.40) MAPTGAAKMT2ARAB9ANPC1
SCHEMBL16627783 0.72 PARP14 (0.47) KMT2APOLBRAB9ANPC1SMN1; SMN2
SCHEMBL16627806 0.71 NHERF1 (0.49) MAPTGAAKMT2APOLBKDM4E

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