SCHEMBL9409089

SCHEMBL9409089

NC(=O)c1cc(Nc2ccccc2C(=O)O)c(Nc2ccccc2C(=O)O)cc1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.61
FABP3 P05413 1/20 0.57
FABP5 Q01469 1/20 0.57
CDC25B P30305 4/20 0.55
AKR1C3 P42330 3/20 0.55
AKR1B10 O60218 2/20 0.55
AKR1B1 P15121 2/20 0.55
AKR1C2 P52895 2/20 0.55
AKR1C1 Q04828 2/20 0.55
AKR1C4 P17516 1/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
PTGS2 P35354 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
TRPA1 O75762 1/20 0.54
ABCB11 O95342 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
SCHEMBL16992722 0.91 FABP4 (0.67) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL9409047 0.89 MAPT (0.55) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL30320327 0.84 FABP4 (0.80) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL355549 0.84 FABP4 (0.80) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL9691899 0.82 FABP4 (0.77) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL6142375 0.82 FABP4 (0.84) FABP4FABP3FABP5CDC25BAKR1C3
SCHEMBL10424663 0.82 SIRT2 (0.62) FABP4SIRT2SIRT1MAPTHPGD
SCHEMBL9409097 0.82 MAPT (0.57) FABP4AKR1C3AKR1C2SIRT2SIRT1
SCHEMBL9409083 0.81 MAPT (0.61) MEN1LMNAPTGS2KMT2ASIRT2
SCHEMBL9409100 0.80 MAPT (0.59) MEN1LMNAPTGS2KMT2ASIRT2

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