SCHEMBL5773977

SCHEMBL5773977

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
FAAH O00519 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL11809030 0.80 MAPT (0.45) ALDH1A1TSHRRAB9AHPGDNPC1
SCHEMBL5779893 0.78 NPSR1 (0.44) NPSR1HTTKMT2AALDH1A1GLA
SCHEMBL10341221 0.78 HSD17B2 (0.51) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5089790 0.77 MEN1 (0.58) NPSR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL9371442 0.76 ATM (0.35) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL18947245 0.76 MEN1 (0.39) NPSR1HTTKMT2AMEN1ALDH1A1
SCHEMBL28906894 0.75 LMNA (0.48) KMT2AALDH1A1NPC1POLBGAA
SCHEMBL10375754 0.75 ALDH1A1 (0.48) NPSR1HTTKMT2AMEN1ALDH1A1
SCHEMBL5765975 0.75 NPSR1 (0.38) NPSR1HTTKMT2AMEN1ALDH1A1
SCHEMBL28147365 0.73 ALDH1A1 (0.48) NPSR1HTTKMT2AMEN1ALDH1A1

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