SCHEMBL10661191

SCHEMBL10661191

Nc1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.62
▸ GAA P10253 3/20 0.58
▸ CASP1 P29466 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ GRM5 P41594 1/20 0.53
▸ CA1 P00915 4/20 0.52
▸ CA4 P22748 4/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CYP1B1 Q16678 1/20 0.51

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
SCHEMBL10660288 0.84 KMT2A (0.63) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL1946531 0.83 CA1 (0.67) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL29531639 0.83 CA1 (0.67) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL1142116 0.83 CASP3 (0.86) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL29724090 0.83 CASP3 (0.86) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL1940988 0.83 CASP3 (0.59) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL8040297 0.81 PARK7 (0.68) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL10586404 0.81 ALDH1A1 (0.68) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL822573 0.80 ALDH1A1 (0.75) CASP3GAACASP1KMT2AHSD17B10
SCHEMBL12420232 0.78 CASP3 (0.57) CASP3GAACASP1KMT2AHSD17B10

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-4734490-A TEXTILE DYEING AND PRINTING CIBA-GEIGY CORPORATION (US) 1988-03-29 — — US disclosed
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