SCHEMBL29237285

SCHEMBL29237285

CSc1c(Oc2ccc(F)c(C(C)=O)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ RHEB Q15382 2/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL30217366 1.00 PRKAB2 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30967786 0.91 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30217023 0.86 TRPA1 (0.33) RHEBTRPA1DRD1
SCHEMBL30217329 0.86 TRPA1 (0.33) RHEBTRPA1DRD1
SCHEMBL29237313 0.86 TRPA1 (0.33) RHEBTRPA1DRD1
SCHEMBL29237546 0.86 TRPA1 (0.33) RHEBTRPA1DRD1
SCHEMBL27269087 0.84 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31110688 0.83 BRD4 (0.32) SCN8ASCN10ATRPA1MAOAMAOB
SCHEMBL31111075 0.81 TRPA1 (0.36) RHEBTRPA1DRD1
SCHEMBL31065884 0.81 RHEB (0.39) RHEBTRPA1DRD1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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