SCHEMBL27718482

SCHEMBL27718482

C=CC(c1ccc(Cl)s1)S(=O)(=O)NC(=O)C1CCN(c2ncc(-c3ncc(CC)o3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.40
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL27698086 0.91 P2RY12 (0.47) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27698061 0.89 P2RY12 (0.42) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27698031 0.89 P2RY12 (0.41) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28768025 0.88 P2RY12 (0.41) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4098276 0.85 P2RY12 (0.55) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28769430 0.85 P2RY12 (0.44) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27718486 0.84 P2RY12 (0.45) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28767981 0.84 P2RY12 (0.49) P2RY12
SCHEMBL27718612 0.83 P2RY12 (0.43) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27718481 0.83 P2RY12 (0.41) P2RY12OPRK1CYP1A2CYP3A4CYP2D6

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