SCHEMBL10917830

SCHEMBL10917830

N#CCC(=O)Nc1ccc2c(c1)C(=O)NC2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ HPGD P15428 2/20 0.63
▸ ALOX12 P18054 1/20 0.60
▸ CASP3 P42574 8/20 0.58
▸ MAPT P10636 1/20 0.58
▸ CASP2 P42575 2/20 0.56
▸ CASP7 P55210 2/20 0.56
▸ CASP6 P55212 2/20 0.56
▸ CASP8 Q14790 2/20 0.56
▸ GLA P06280 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PRKAB2 O43741 1/20 0.54
▸ PRKAG1 P54619 1/20 0.54
▸ PRKAA2 P54646 1/20 0.54
▸ PRKAA1 Q13131 1/20 0.54
▸ PRKAG3 Q9UGI9 1/20 0.54

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
SCHEMBL6260497 0.80 CASP3 (0.86) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL10915866 0.80 KDM4E (0.70) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL5947099 0.79 KDM4E (0.71) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL11122026 0.77 CA12 (0.73) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL4462900 0.76 KDM4E (0.66) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL6261674 0.75 KDM4E (0.76) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL28854755 0.75 KDM4E (0.75) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL5838218 0.74 ALDH1A1 (0.69) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL22033208 0.74 KDM4E (0.92) KDM4EALDH1A1HPGDALOX12CASP3
SCHEMBL11586190 0.73 MAPT (0.58) KDM4EALDH1A1MAPTPOLBKMT2A

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
EP-0185618-A2 Isoindolines, process for their manufacture and their use CIBA-GEIGY AG (CH) 1986-06-25 — — EP disclosed
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