SCHEMBL27285033

SCHEMBL27285033

CSC(=N)c1ccnc(Oc2c(F)cc3[nH]ccc3c2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.35
▸ DRD1 P21728 2/20 0.31

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
Iodide SCHEMBL30840750 0.99 TRPA1 (0.34) TRPA1DRD1
SCHEMBL27275538 0.82 KDM4E (0.38) TRPA1
SCHEMBL31625892 0.82 KDM4E (0.38) TRPA1
SCHEMBL27285201 0.82 PRKCI (0.38) TRPA1DRD1
SCHEMBL27285206 0.82 ASH1L (0.36) TRPA1DRD1
SCHEMBL27285111 0.82 TRPA1 (0.35) TRPA1DRD1
SCHEMBL30840025 0.82 TRPA1 (0.35) TRPA1DRD1
SCHEMBL27276624 0.81 RHEB (0.35) TRPA1
Iodide SCHEMBL30841178 0.81 TRPA1 (0.34) TRPA1DRD1
Iodide SCHEMBL30840584 0.80 RHEB (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO disclosed
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