SCHEMBL19185061

SCHEMBL19185061

COC1OC1[C@@H](C)Cn1c(=O)[nH]/c(=N\c2ccc(OC(C)C)cc2)n(Cc2ccc(I)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 17/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19185185 0.89 P2RX3 (0.42) P2RX3MEN1KMT2ALMNAL3MBTL1
SCHEMBL10057220 0.81 P2RX3 (0.60) P2RX3
SCHEMBL19183898 0.81 P2RX3 (0.58) P2RX3
SCHEMBL19185182 0.78 P2RX3 (0.43) P2RX3
SCHEMBL19185227 0.78 P2RX3 (0.42) P2RX3
SCHEMBL19231944 0.78 P2RX3 (0.47) P2RX3
SCHEMBL19185073 0.74 P2RX3 (0.45) P2RX3
SCHEMBL19185188 0.74 P2RX3 (0.41) P2RX3MEN1KMT2AL3MBTL1
SCHEMBL10057012 0.73 P2RX3 (0.59) P2RX3
SCHEMBL10055503 0.73 P2RX3 (0.59) P2RX3

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
US-9718790-B2 Triazine derivative and pharmaceutical composition having an analgesic activity comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-01 — — US disclosed
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