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SCHEMBL18301911

SCHEMBL18301911

COc1ccc(CC(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(S(N)(=O)=O)c2)cc1.NS(=O)(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Oc1ccc(Cl)cc1.NS(=O)(=O)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccc1Oc1ccc(Cl)cc1.NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 20/20 0.64
▸ CYP2C8 P10632 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ P2RX3 P56373 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ P2RX7 Q99572 1/20 0.54

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
SCHEMBL30591509 0.87 P2RX4 (0.68) P2RX4
SCHEMBL18301858 0.87 P2RX4 (0.68) P2RX4
SCHEMBL18301859 0.87 P2RX4 (0.82) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290144 0.87 P2RX4 (0.82) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290179 0.85 P2RX4 (0.75) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL18301944 0.85 P2RX4 (0.75) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL18301943 0.84 P2RX4 (0.72) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL30591482 0.84 P2RX4 (0.72) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL31290043 0.83 P2RX4 (0.86) P2RX4
SCHEMBL18301824 0.83 P2RX4 (0.86) P2RX4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 — — EP claimed
WO-2016198374-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 — — WO claimed
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