SCHEMBL9409084

SCHEMBL9409084

COC(=O)c1ccc(Nc2cc(C(N)=O)c(C(N)=O)cc2Nc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.73
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
MITF O75030 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL9409210 0.88 SIRT2 (0.58) SIRT2KDM4EHPGDMAPTALDH1A1
SCHEMBL9409039 0.86 SIRT2 (0.56) SIRT2KMT2AKDM4EMEN1HPGD
SCHEMBL9409057 0.85 MEN1 (0.57) SIRT2KMT2AKDM4EMEN1HPGD
SCHEMBL9409094 0.84 SIRT2 (0.54) SIRT2KMT2AKDM4EMEN1HPGD
SCHEMBL9409104 0.83 SIRT2 (0.52) SIRT2KMT2AKDM4EMEN1HPGD
SCHEMBL9409132 0.83 AKR1C3 (0.55) SIRT2KMT2AKDM4EMEN1MAPT
SCHEMBL9409059 0.83 ALDH1A1 (0.58) SIRT2KMT2AMEN1MAPTROCK1
SCHEMBL9409202 0.83 MAPT (0.64) SIRT2MAPTALDH1A1GAAHSD17B10
SCHEMBL9409067 0.82 AKR1C3 (0.60) SIRT2KMT2AKDM4EMEN1MAPT
SCHEMBL9409188 0.82 SIRT2 (0.51) SIRT2KMT2AKDM4EMEN1HPGD

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-0600832-A1 Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed