SCHEMBL7698123

SCHEMBL7698123

CS(=O)(=O)c1ccc2c(c1)c(=O)ccn2C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ PTGS2 P35354 8/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ PTGS1 P23219 7/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ AKR1C2 P52895 2/20 0.38
▸ RARG P13631 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ TBXA2R P21731 2/20 0.36
▸ PTGDR Q13258 2/20 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
SCHEMBL6593785 0.71 NOTUM (0.42) —
SCHEMBL18939799 0.66 AKR1C3 (0.42) LMNAPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL14896280 0.65 OXER1 (0.40) LMNA
SCHEMBL4047206 0.64 NOTUM (0.54) LMNAPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL3223413 0.64 PTGS2 (0.43) LMNAPTGS2PTGDR2PTGS1
SCHEMBL11330088 0.63 LMNA (0.59) LMNAPTGS2AKR1C3AKR1C2
SCHEMBL7284268 0.62 POLB (0.48) LMNA
SCHEMBL5564634 0.62 ALDH1A1 (0.60) PTGS1
SCHEMBL19778027 0.62 KMT2A (0.54) PTGDR2AKR1C3AKR1C2
SCHEMBL22831319 0.62 NOTUM (0.44) CCR2

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
WO-2002068394-A1 QUINOLINE DERIVATIVE AS TYROSINE KINASE INHIBITOR GLAXO GROUP LIMITED (GB) 2002-09-06 — — WO disclosed
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