SCHEMBL5779893

SCHEMBL5779893

O=C(O)C(=CN(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALOX15 P16050 1/20 0.34

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
SCHEMBL5773977 0.78 NPSR1 (0.41) NPSR1TP53ALDH1A1HTTNPC1
SCHEMBL5094475 0.74 MEN1 (0.60) NPSR1ALDH1A1POLBKMT2ATSHR
SCHEMBL5699186 0.74 HTT (0.40) NPSR1TP53TRPM8ALDH1A1HTT
SCHEMBL5765975 0.74 NPSR1 (0.38) NPSR1TP53TRPM8ALDH1A1HTT
SCHEMBL2511509 0.74 NPSR1 (0.38) NPSR1TP53TRPM8ALDH1A1RAB9A
SCHEMBL10375754 0.74 ALDH1A1 (0.48) NPSR1TP53ALDH1A1HTTNPC1
SCHEMBL4559026 0.71 MEN1 (0.40) NPSR1ALDH1A1HTTKMT2AGLA
SCHEMBL19041278 0.71 CES2 (0.48) NPSR1ALDH1A1RAB9AKMT2ATSHR
SCHEMBL3966094 0.70 ALDH1A1 (0.41) NPSR1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL19795974 0.70 CES2 (0.45) NPSR1ALDH1A1HTTNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513833-B1 NOVEL 3-(4-OXO-4H-CHROMEN-2-YL)-(1H)-QUINOLINE-4-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2006-04-19 EP disclosed
EP-1513833-A1 NOVEL 3-(4-OXO-4H-CHROMEN-2-YL)-(1H)-QUINOLINE-4-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2005-03-16 EP disclosed
WO-2004000834-A1 NOVEL 3-(4-OXO-4H-CHROMEN-2-YL)-(1H)-QUINOLINE-4-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2003-12-31 WO disclosed