SCHEMBL31054347

SCHEMBL31054347

O=C=C1CCN(c2ncccc2Cl)N1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ TRPA1 O75762 2/20 0.36
▸ MALT1 Q9UDY8 2/20 0.36
▸ TRPV1 Q8NER1 5/20 0.36

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
SCHEMBL29386746 0.81 ALOX5 (0.58) HSD11B1ALOX5TRPA1MALT1
SCHEMBL28178496 0.81 ALOX5 (0.58) HSD11B1ALOX5TRPA1MALT1
SCHEMBL28589887 0.76 ALOX5 (0.52) HSD11B1ALOX5MALT1
SCHEMBL29558590 0.73 HSD11B1 (0.34) HSD11B1TRPA1MALT1TRPV1
Propionic Acid SCHEMBL29128109 0.71 ALOX5 (0.47) ALOX5TRPA1MALT1
SCHEMBL28179378 0.68 HSD11B1 (0.39) HSD11B1TRPA1MALT1TRPV1
SCHEMBL8299219 0.66 LMNA (0.59) HSD11B1TRPA1MALT1TRPV1
SCHEMBL31348096 0.64 HSD11B1 (0.54) HSD11B1TRPA1MALT1TRPV1
SCHEMBL28203428 0.64 HSD11B1 (0.54) HSD11B1TRPA1MALT1TRPV1
SCHEMBL234597 0.64 EPHX2 (0.59) —

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
CN-118992999-A Method for recycling phosphoric acid and hydrobromic acid aqueous solution from mixed acid wastewater 河北诚信集团有限公司 2024-11-22 — — CN disclosed
CN-118546118-A Chlorantraniliprole Synthesis method of intermediate 河北诚信集团有限公司 2024-08-27 — — CN disclosed
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