SCHEMBL29558552

SCHEMBL29558552

O=C(Cl)c1cc(Cl)nn1-c1ncccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TRPV1 Q8NER1 3/20 0.37
MALT1 Q9UDY8 5/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
AVPR1A P37288 1/20 0.35

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
SCHEMBL14234689 1.00 TRPA1 (0.38) TRPA1TRPV1MALT1ALDH1A1LMNA
SCHEMBL29558300 0.88 MALT1 (0.40) TRPA1MALT1ALDH1A1LMNAHTT
SCHEMBL958268 0.88 MALT1 (0.40) TRPA1MALT1ALDH1A1LMNAHTT
SCHEMBL28812160 0.87 TRPA1 (0.37) TRPA1TRPV1MALT1ALDH1A1
SCHEMBL24621634 0.86 MALT1 (0.40) TRPA1TRPV1MALT1ALDH1A1AVPR1A
SCHEMBL590879 0.86 DHODH (0.41) TRPA1TRPV1MALT1
SCHEMBL29558178 0.86 DHODH (0.41) TRPA1TRPV1MALT1
SCHEMBL13349718 0.83 SLC16A3 (0.36) TRPA1TRPV1MALT1
SCHEMBL30863652 0.82 KDM4E (0.49) TRPA1TRPV1MALT1ALDH1A1
SCHEMBL114535 0.82 KDM4E (0.49) TRPA1TRPV1MALT1ALDH1A1

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-109988150-B N-alkyl-N-cyanoalkyl benzamide compounds and application thereof 江苏中旗科技股份有限公司 2022-04-12 CN disclosed