SCHEMBL30967818

SCHEMBL30967818

Cc1c(Oc2ccc(F)c(C#N)c2)c(F)c(F)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 2/20 0.36
▸ AR P10275 7/20 0.35
▸ EPAS1 Q99814 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32
▸ PLA2G7 Q13093 4/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 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
SCHEMBL29237594 1.00 DRD1 (0.36) DRD1AREPAS1TRPA1HAO1
SCHEMBL29237576 0.89 TRPA1 (0.34) DRD1AREPAS1TRPA1HAO1
SCHEMBL30967762 0.89 TRPA1 (0.34) DRD1AREPAS1TRPA1HAO1
SCHEMBL27270099 0.86 TRPA1 (0.33) DRD1AREPAS1TRPA1HAO1
SCHEMBL31108584 0.85 EPAS1 (0.33) DRD1AREPAS1TRPA1HAO1
SCHEMBL31110704 0.85 PLA2G7 (0.33) DRD1AREPAS1PLA2G7
SCHEMBL31110928 0.84 EPAS1 (0.39) EPAS1BRD4
SCHEMBL31111034 0.84 EPAS1 (0.39) AREPAS1BRD4
SCHEMBL31110933 0.84 VEGFA (0.40) DRD1AREPAS1TRPA1HAO1
SCHEMBL31111009 0.83 EPAS1 (0.34) DRD1EPAS1TRPA1HAO1PLA2G7

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
Send feedback