SCHEMBL30967875

SCHEMBL30967875

COC(=O)CCc1cccc(C(=O)c2cnc(-c3cccc(Oc4c(F)cc5[nH]ccc5c4F)c3)[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 2/20 0.34
▸ CDK8 P49336 4/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ DNMT3B Q9UBC3 1/20 0.32
▸ VDR P11473 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ F10 P00742 2/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ HPGDS O60760 1/20 0.30
▸ VNN1 O95497 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL29237550 1.00 DGAT2 (0.34) DGAT2CDK8CNR2DNMT3BVDR
SCHEMBL30216993 1.00 DGAT2 (0.34) DGAT2CDK8CNR2DNMT3BVDR
SCHEMBL29237854 0.92 FFAR1 (0.33) CDK8CNR2HPGDS
SCHEMBL30967895 0.92 FFAR1 (0.33) CDK8CNR2HPGDS
SCHEMBL30217039 0.92 FFAR1 (0.33) CDK8CNR2HPGDS
SCHEMBL30217199 0.84 CDK8 (0.33) CDK8CNR2DNMT3BVDRPPARD
SCHEMBL30967953 0.84 FFAR1 (0.32) —
SCHEMBL30217298 0.84 FFAR1 (0.32) —
SCHEMBL30217364 0.83 CDK8 (0.32) CDK8CNR2DNMT3BVDRPPARD
SCHEMBL30217287 0.83 DGAT2 (0.34) DGAT2CDK8DNMT3BVDRPPARD

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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