SCHEMBL5599505

SCHEMBL5599505

Cc1ccc(S(=O)(=O)NC(=O)N2CCN(c3nc(C(F)(F)F)c(C(=O)O)cc3C#N)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.81
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL4103116 0.92 P2RY12 (0.78) P2RY12
SCHEMBL5265547 0.91 P2RY12 (0.78) P2RY12
SCHEMBL4117515 0.89 P2RY12 (1.00) P2RY12
SCHEMBL4107044 0.84 P2RY12 (1.00) P2RY12ALDH1A1
SCHEMBL4105133 0.84 P2RY12 (1.00) P2RY12
SCHEMBL4099479 0.83 P2RY12 (1.00) P2RY12
SCHEMBL3922603 0.79 P2RY12 (0.77) P2RY12
SCHEMBL3922179 0.77 P2RY12 (0.80) P2RY12ALDH1A1
SCHEMBL4105165 0.77 P2RY12 (1.00) P2RY12ALDH1A1
SCHEMBL3926625 0.76 P2RY12 (0.67) P2RY12ALDH1A1

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-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed