SCHEMBL27718481

SCHEMBL27718481

CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)CC=Cc4ccc(Cl)s4)CC3)c([N+](=O)[O-])c2)o1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.41
F10 P00742 5/20 0.35
MALT1 Q9UDY8 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL27698084 0.90 P2RY12 (0.48) P2RY12F10MALT1CYP3A4CYP2C9
SCHEMBL27698048 0.90 P2RY12 (0.44) P2RY12F10CYP3A4CYP2C9CYP2D6
SCHEMBL27698060 0.89 P2RY12 (0.42) P2RY12F10MALT1CYP3A4CYP2C9
SCHEMBL27698028 0.89 P2RY12 (0.42) P2RY12F10CYP3A4CYP2C9CYP2D6
SCHEMBL28768024 0.88 P2RY12 (0.42) P2RY12F10CYP3A4CYP2C9CYP2D6
SCHEMBL4098276 0.86 P2RY12 (0.55) P2RY12F10CYP3A4CYP2C9CYP2D6
SCHEMBL28769429 0.84 P2RY12 (0.45) P2RY12F10MALT1CYP3A4CYP2C9
SCHEMBL27718484 0.84 P2RY12 (0.46) P2RY12F10MALT1
SCHEMBL28772018 0.84 P2RY12 (0.45) P2RY12F10CYP3A4CYP2C9CYP2D6
SCHEMBL28767980 0.83 P2RY12 (0.51) P2RY12F10CYP3A4CYP2C9

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
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed