SCHEMBL19508641

SCHEMBL19508641

CNc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(Cl)c3n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 5/20 0.82
PLAUR Q03405 9/20 0.66
TRPV1 Q8NER1 2/20 0.59
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 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
SCHEMBL19475473 0.90 MOK (1.00) MOKPLAURTRPV1ALDH1A1TSHR
SCHEMBL19508991 0.89 MOK (0.85) MOKPLAURTRPV1ALDH1A1TSHR
SCHEMBL19475479 0.87 MOK (0.74) MOKPLAURTRPV1ALDH1A1TSHR
SCHEMBL19475307 0.82 MOK (0.73) MOKPLAURALDH1A1TSHRKDM4E
SCHEMBL19475491 0.82 MOK (1.00) MOKPLAURTRPV1ALDH1A1TSHR
SCHEMBL19475292 0.81 MOK (1.00) MOKPLAURTRPV1ALDH1A1USP2
SCHEMBL19475304 0.77 MOK (0.73) MOKPLAURTRPV1ALDH1A1TSHR
SCHEMBL19475493 0.74 MOK (1.00) MOKTRPV1ALDH1A1TSHRKDM4E
SCHEMBL19475475 0.72 MOK (1.00) MOKTRPV1ALDH1A1TSHRKDM4E
SCHEMBL10760683 0.72 ALDH1A1 (1.00) MOKPLAURTRPV1ALDH1A1TSHR

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-2017184547-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY (US) 2017-10-26 WO disclosed