SCHEMBL30967808

SCHEMBL30967808

Cc1c(Oc2ccc(F)c(C(N)=O)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ THRA P10827 3/20 0.33
▸ THRB P10828 3/20 0.33
▸ RHEB Q15382 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ BTK Q06187 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 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
SCHEMBL29237596 1.00 TRPA1 (0.34) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29237459 0.88 TRPA1 (0.34) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30217071 0.88 TRPA1 (0.34) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29237201 0.88 SCN9A (0.36) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30217386 0.88 SCN9A (0.36) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27275536 0.87 NR4A2 (0.39) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31108604 0.87 NR4A2 (0.39) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL30750345 0.83 BTK (0.37) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL27277710 0.83 BTK (0.37) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL31108517 0.79 RHEB (0.42) TRPA1PRKAB2PRKAG1PRKAA2PRKAA1

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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