SCHEMBL30092071

SCHEMBL30092071

COC1(COc2cc(C(=O)O)cc(-c3ncc(C)s3)c2)COC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.53
P2RX2 Q9UBL9 20/20 0.53
CYP2C9 P11712 2/20 0.46

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
SCHEMBL28480123 1.00 P2RX3 (0.53) P2RX3P2RX2CYP2C9
SCHEMBL28479816 0.91 P2RX3 (0.54) P2RX3P2RX2CYP2C9
SCHEMBL17823813 0.90 P2RX3 (0.63) P2RX3P2RX2CYP2C9
SCHEMBL30092111 0.85 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL28474275 0.85 P2RX3 (0.49) P2RX3P2RX2
SCHEMBL17823819 0.82 P2RX3 (0.65) P2RX3P2RX2CYP2C9
SCHEMBL30092234 0.82 P2RX3 (0.65) P2RX3P2RX2CYP2C9
SCHEMBL17824177 0.82 P2RX3 (0.64) P2RX3P2RX2CYP2C9
SCHEMBL17823581 0.81 P2RX3 (0.62) P2RX3P2RX2CYP2C9
SCHEMBL17824147 0.79 P2RX3 (0.65) P2RX3P2RX2CYP2C9

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-110256418-B 1, 3-thiazol-2-yl substituted benzamides 拜耳公司 2023-01-20 CN disclosed