SCHEMBL9409097

SCHEMBL9409097

NC(=O)c1cc(Nc2ccccc2)c(Nc2ccccc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
GFER P55789 1/20 0.57
NGLY1 Q96IV0 1/20 0.57
FABP4 P15090 1/20 0.56
SIRT2 Q8IXJ6 9/20 0.54
SIRT1 Q96EB6 3/20 0.54
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
BRD4 O60885 1/20 0.50
CXCR2 P25025 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
JAK2 O60674 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL2723037 0.94 SIRT2 (0.58) MAPTGFERNGLY1FABP4SIRT2
SCHEMBL8833788 0.91 MAPT (0.67) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL8002116 0.89 MAPT (0.67) MAPTGFERNGLY1FABP4SIRT2
SCHEMBL9409202 0.83 MAPT (0.64) MAPTSIRT2SIRT1AKR1C3AKR1C2
SCHEMBL351705 0.83 MAPT (0.79) MAPTGFERNGLY1FABP4AKR1C3
SCHEMBL9409089 0.82 FABP4 (0.61) MAPTFABP4SIRT2SIRT1AKR1C3
SCHEMBL9409154 0.82 AKR1C3 (0.55) MAPTGFERSIRT2AKR1C3AKR1C2
SCHEMBL9409032 0.81 SIRT2 (0.59) SIRT2SIRT1AKR1C3AKR1C2
SCHEMBL19934325 0.81 MAPT (0.56) MAPTGFERNGLY1FABP4SIRT2
SCHEMBL9172301 0.81 MAPT (0.76) MAPTGFERNGLY1FABP4AKR1C3

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