SCHEMBL9262003

SCHEMBL9262003

Cc1cccc(Nc2ccccc2C(=O)NN)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.69
PTGS1 P23219 3/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
AKR1C3 P42330 2/20 0.69
KMT2A Q03164 2/20 0.69
HIF1A Q16665 2/20 0.69
AKR1B10 O60218 1/20 0.69
TRPA1 O75762 1/20 0.69
ABCB11 O95342 1/20 0.69
DHFR P00374 1/20 0.69
MPO P05164 1/20 0.69
CHRM1 P11229 1/20 0.69
AKR1B1 P15121 1/20 0.69
AKR1C2 P52895 1/20 0.69
AKR1C1 Q04828 1/20 0.69
NAPRT Q6XQN6 1/20 0.69

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
SCHEMBL9736935 0.86 PTGS2 (0.71) PTGS2PTGS1LMNAMEN1CYP1A2
SCHEMBL9733796 0.85 PTGS2 (0.66) PTGS2PTGS1LMNAMEN1CYP1A2
SCHEMBL11013710 0.84 PTGS2 (0.73) PTGS2PTGS1LMNAMEN1CYP1A2
Mefenamic Acid SCHEMBL3544 0.82 PTGS2 (1.00) PTGS2PTGS1LMNAMEN1CYP1A2
SCHEMBL7925344 0.82 PTGS2 (0.76) PTGS2PTGS1LMNAMEN1CYP1A2
Mefenamic Acid SCHEMBL6421234 0.82 PTGS2 (1.00) PTGS2PTGS1LMNAMEN1CYP1A2
Mefenamic Acid SCHEMBL29350572 0.82 PTGS2 (1.00) PTGS2PTGS1LMNAMEN1CYP1A2
Mefenamic Acid SCHEMBL29465887 0.82 PTGS2 (1.00) PTGS2PTGS1LMNAMEN1CYP1A2
Mefenamic Acid SCHEMBL29355128 0.82 PTGS2 (1.00) PTGS2PTGS1LMNAMEN1CYP1A2
SCHEMBL24172126 0.82 PTGS2 (0.70) PTGS2PTGS1LMNAMEN1CYP1A2

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
US-5462952-A Have activity as inhibitors of 5-lipoxygenase and/or cyclooxygenase WARNER-LAMBERT COMPANY (US) 1995-10-31 US disclosed
EP-0401857-A2 Fenamate 1,3,4-thiadiazoles and 1,3,4-oxadiazoles as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1990-12-12 EP disclosed