SCHEMBL4431453

SCHEMBL4431453

N#Cc1cc(Cc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)c(C(=O)NCC(=O)O)c(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 17/20 0.53
EGLN2 Q96KS0 6/20 0.47
EGLN3 Q9H6Z9 6/20 0.47
CYSLTR2 Q9NS75 1/20 0.40
SERPINE1 P05121 1/20 0.38

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
SCHEMBL5309258 0.87 EGLN1 (0.49) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL5309053 0.77 EGLN1 (0.41) EGLN1EGLN2EGLN3SERPINE1
SCHEMBL5312400 0.76 MEN1 (0.48) EGLN1EGLN3
SCHEMBL5311709 0.76 EGLN1 (0.43) EGLN1EGLN2EGLN3
SCHEMBL5306234 0.76 TDP1 (0.45) EGLN1EGLN2EGLN3
SCHEMBL5305537 0.76 TDP1 (0.45) EGLN1
SCHEMBL5309396 0.75 EGLN1 (0.43) EGLN1EGLN3
SCHEMBL5312251 0.74 MEN1 (0.48) EGLN1EGLN3
SCHEMBL3515037 0.73 EGLN1 (0.70) EGLN1EGLN2EGLN3CYSLTR2
SCHEMBL5308968 0.72 MEN1 (0.49) EGLN1SERPINE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP claimed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO claimed