SCHEMBL27265135

SCHEMBL27265135

N=C(N)c1cc(Oc2c(F)cc3[nH]ccc3c2CO)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.33
▸ RHEB Q15382 2/20 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
SCHEMBL30217304 1.00 TRPA1 (0.33) TRPA1RHEB
SCHEMBL30805095 0.91 TRPA1 (0.32) TRPA1RHEB
SCHEMBL27265232 0.91 TRPA1 (0.32) TRPA1RHEB
SCHEMBL30750020 0.89 TRPA1 (0.31) TRPA1
SCHEMBL30750398 0.89 TRPA1 (0.33) TRPA1RHEB
SCHEMBL30805052 0.89 RHEB (0.31) TRPA1RHEB
SCHEMBL29336818 0.88 TRPA1 (0.32) TRPA1RHEB
SCHEMBL31108560 0.88 TRPA1 (0.32) TRPA1RHEB
SCHEMBL27382327 0.86 TRPA1 (0.36) TRPA1RHEB
SCHEMBL30750320 0.86 EGFR (0.33) TRPA1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2024054845-A1 MACROCYCIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO disclosed
Send feedback