SCHEMBL14068804

SCHEMBL14068804

Cc1ccc2[nH]c(=O)c(CN(CCCO)C(=O)c3cccc(Cl)c3)cc2c1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.86
THRB P10828 1/20 0.68
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 2/20 0.63
MITF O75030 1/20 0.63
MAPK1 P28482 1/20 0.62
TSHR P16473 1/20 0.61
TP53 P04637 3/20 0.60
OPRK1 P41145 2/20 0.57
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.56
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL14068623 0.90 RXFP1 (0.81) RXFP1THRBKDM4EHSD17B10SMN1; SMN2
SCHEMBL13496444 0.79 RXFP1 (0.68) RXFP1THRBKDM4EHSD17B10SMN1; SMN2
SCHEMBL13496432 0.75 KDM4E (0.80) RXFP1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL4075932 0.74 POLB (0.79) RXFP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13496399 0.74 KDM4E (0.80) RXFP1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL12594562 0.72 ALOX15 (0.75) RXFP1KDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL12594566 0.72 ALOX15 (0.72) RXFP1THRBKDM4EHSD17B10SMN1; SMN2
SCHEMBL13496425 0.72 KDM4E (0.84) RXFP1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL13561457 0.72 ALOX15 (0.74) RXFP1KDM4EHSD17B10LMNAALDH1A1
SCHEMBL4075930 0.72 POLB (0.85) RXFP1KDM4EHSD17B10ALDH1A1HPGD

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-2008113006-A1 METHODS OF USING QUINOLINONE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-09-18 WO disclosed