SCHEMBL11725924

SCHEMBL11725924

Cc1cc(N)ccc1N1C(=O)c2ccc(C(N)=O)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ ANPEP P15144 1/20 0.49
▸ DPP4 P27487 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CASP1 P29466 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL11719744 0.89 NPSR1 (0.58) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL11725937 0.89 ALDH1A1 (0.51) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL11724464 0.86 CA1 (0.54) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL11720681 0.86 ESR1 (0.50) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL11721594 0.81 ALDH1A1 (0.62) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL11721458 0.81 MEN1 (0.63) ESR1ESR2ALDH1A1TSHRMEN1
SCHEMBL10025003 0.81 APEX1 (0.49) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL10885032 0.79 CYP3A4 (0.66) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL1548403 0.79 ESR1 (0.54) ESR1ESR2ANPEPDPP4ALDH1A1
SCHEMBL1548602 0.79 ESR1 (0.54) ESR1ESR2ANPEPDPP4ALDH1A1

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
US-4025505-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1977-05-24 — — US disclosed
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