SCHEMBL30591455

SCHEMBL30591455

Cc1cccc(Cl)c1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(S(N)(=O)=O)c1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 20/20 0.87
▸ TMEM97 Q5BJF2 2/20 0.72
▸ CYP2C8 P10632 1/20 0.72
▸ CYP2D6 P10635 1/20 0.72
▸ CYP2C9 P11712 1/20 0.72
▸ ADRA2B P18089 1/20 0.72
▸ HTR2C P28335 1/20 0.72
▸ P2RX3 P56373 1/20 0.72
▸ SLC6A3 Q01959 1/20 0.72
▸ P2RX7 Q99572 1/20 0.72
▸ GABRA1 P14867 1/20 0.61
▸ ADRA2C P18825 1/20 0.61

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
SCHEMBL18301973 1.00 P2RX4 (0.87) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL31290192 0.93 P2RX4 (1.00) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL18301935 0.93 P2RX4 (1.00) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL18301680 0.91 P2RX4 (0.81) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL30591476 0.91 P2RX4 (0.81) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL31290186 0.90 P2RX4 (0.86) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL18301685 0.90 P2RX4 (0.86) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL18301917 0.90 P2RX4 (0.85) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL30591415 0.90 P2RX4 (0.85) P2RX4TMEM97CYP2C8CYP2D6CYP2C9
SCHEMBL31289989 0.89 P2RX4 (0.78) P2RX4TMEM97CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119233829-A Pharmaceutical composition for preventing, inhibiting or treating symptoms associated with pseudoallergy 学校法人高崎健康福祉大学 2024-12-31 — — CN claimed
CN-119233829-A Pharmaceutical composition for preventing, inhibiting or treating symptoms associated with pseudoallergy 学校法人高崎健康福祉大学 2024-12-31 — — CN disclosed
WO-2023190826-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR SUPPRESSING OR TREATING SYMPTOMS ACCOMPANYING PSEUDO-ALLERGIC REACTIONS 学校法人 高崎健康福祉大学 2023-10-05 — — WO disclosed
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