Isophthalic Acid

Isophthalic Acid

SCHEMBL27865014

Cc1cc(-n2nc(Nc3cccc(OC(F)(F)F)c3)cc2CC(N)=O)ccn1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ NPY5R Q15761 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GPR142 Q7Z601 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ GALR2 O43603 1/20 0.37
▸ GALR1 P47211 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM5A P29375 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36

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
Isophthalic Acid SCHEMBL27864979 0.88 AURKA (0.51) MAPK1CYP2C9AURKANPC1RAB9A
SCHEMBL1506469 0.86 MAPK1 (0.46) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10010866 0.85 MAPK1 (0.46) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL1506231 0.84 MAPK1 (0.45) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10009161 0.84 MAPK1 (0.50) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL1506242 0.83 MAPK1 (0.46) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10010154 0.82 MAPK1 (0.44) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10008365 0.81 MAPK1 (0.43) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL1506340 0.80 CYP2D6 (0.46) MAPK1NPY5RCYP2D6CYP2C9KCNH2
SCHEMBL10009879 0.80 MAPK1 (0.45) MAPK1ABL1BCRNPY5RCYP2D6

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
CN-102574832-B Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN disclosed
CN-102574832-A Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2012-07-11 — — CN disclosed
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