SCHEMBL27276124

SCHEMBL27276124

N=C(N)c1cccc(Oc2c(F)cc3[nH]ccc3c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.48
▸ F2 P00734 7/20 0.48
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41

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
SCHEMBL30967772 1.00 F10 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL30217327 0.88 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL29237602 0.88 F10 (0.50) F10F2PRSS1PRSS2PRSS3
SCHEMBL30285603 0.86 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL27276624 0.86 RHEB (0.35) F10F2
Iodide SCHEMBL30840584 0.85 RHEB (0.34) F10F2
SCHEMBL29336712 0.84 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL29336700 0.84 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL30285660 0.84 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL27265231 0.83 TRPA1 (0.34) F2

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