SCHEMBL9409202

SCHEMBL9409202

COC(=O)c1cc(Nc2ccccc2)c(Nc2ccccc2)cc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
SIRT2 Q8IXJ6 11/20 0.58
SIRT1 Q96EB6 4/20 0.49
BRD4 O60885 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CXCR2 P25025 1/20 0.47
PDE4B Q07343 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL5809618 0.92 MAPT (0.74) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL2723037 0.88 SIRT2 (0.58) MAPTSIRT2SIRT1BRD4CXCR2
SCHEMBL9409210 0.87 SIRT2 (0.58) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL9409094 0.86 SIRT2 (0.54) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL9409168 0.86 AKR1C3 (0.56) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL9409062 0.85 SIRT2 (0.47) MAPTALOX15SIRT2SIRT1CXCR2
SCHEMBL9409200 0.85 AKR1C3 (0.52) MAPTALOX15SIRT2SIRT1AKR1C3
SCHEMBL9409034 0.85 ALDH1A1 (0.56) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL8529851 0.85 MAPT (0.74) MAPTALOX15SIRT2AKR1C3AKR1C2
SCHEMBL9409104 0.85 SIRT2 (0.52) MAPTALOX15SIRT2ALDH1A1

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 2 patents. 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 claimed
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