SCHEMBL9409094

SCHEMBL9409094

COC(=O)c1cc(Nc2ccc(C)cc2)c(Nc2ccc(C)cc2)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.54
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
MAPT P10636 6/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AHR P35869 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 6/20 0.44
GAA P10253 2/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
EGFR P00533 1/20 0.43
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL8834176 0.92 AKR1C3 (0.55) SIRT2AKR1C3AKR1C2MAPTNPC1
SCHEMBL9409101 0.91 MAPT (0.54) SIRT2AKR1C3AKR1C2MAPTNPC1
SCHEMBL9409104 0.87 SIRT2 (0.52) SIRT2MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL9409132 0.87 AKR1C3 (0.55) SIRT2AKR1C3AKR1C2MAPTNPC1
SCHEMBL9409202 0.86 MAPT (0.64) SIRT2AKR1C3AKR1C2MAPTALOX15
SCHEMBL9409087 0.86 AKR1C3 (0.61) AKR1C3AKR1C2MAPTNPC1SMN1; SMN2
SCHEMBL4091568 0.85 AKR1C3 (0.59) SIRT2AKR1C3AKR1C2MAPTNPC1
SCHEMBL9409210 0.85 SIRT2 (0.58) SIRT2AKR1C3AKR1C2MAPTNPC1
SCHEMBL9409188 0.85 SIRT2 (0.51) SIRT2MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL9409084 0.84 SIRT2 (0.73) SIRT2AKR1C3AKR1C2MAPTSMN1; SMN2

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