SCHEMBL29970862

SCHEMBL29970862

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.36
TRPV1 Q8NER1 3/20 0.35
RBP4 P02753 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
GCK P35557 1/20 0.33
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL16014619 1.00 TRPA1 (0.36) TRPA1TRPV1RBP4JMJD6GCK
SCHEMBL16014767 0.91 TRPA1 (0.36) TRPA1TRPV1GCKMALT1
SCHEMBL16014641 0.86 ALDH1A1 (0.42) JMJD6GCK
SCHEMBL27962697 0.85 ALDH1A1 (0.35) TRPA1TRPV1MALT1
SCHEMBL27944900 0.84 GCK (0.33) TRPA1TRPV1GCKMALT1
SCHEMBL867603 0.84 TRPA1 (0.39) TRPA1TRPV1MALT1
SCHEMBL16014768 0.82 TRPA1 (0.37) TRPA1TRPV1RBP4MALT1
SCHEMBL14698527 0.82 MALT1 (0.40) TRPA1TRPV1RBP4MALT1
SCHEMBL14698292 0.80 LIMK1 (0.39) TRPA1TRPV1MALT1
SCHEMBL29558552 0.78 TRPA1 (0.38) TRPA1TRPV1MALT1

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-111187214-B Fluorobenzene bishydrazide azole compound and application thereof 青岛科技大学 2022-09-16 CN disclosed