SCHEMBL31470331

SCHEMBL31470331

COC(=O)C1CCC(c2cc(F)c(F)c(F)c2)=N1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.33
MIF P14174 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
ANPEP P15144 1/20 0.32
DHODH Q02127 1/20 0.31
RAPGEF3 O95398 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL2346544 0.85 ALDH1A1 (0.37)
SCHEMBL2346553 0.85 ALDH1A1 (0.37)
SCHEMBL24350331 0.81 SLC6A3 (0.42) SLC6A3MIFSLC6A4
SCHEMBL22039757 0.81 SLC6A3 (0.42) SLC6A3MIFSLC6A4
SCHEMBL31479166 0.80 CA1 (0.42) DGAT2
SCHEMBL5516318 0.80 CA1 (0.42) DGAT2
SCHEMBL12973327 0.78 SLC6A3 (0.42) SLC6A3MIFSLC6A4
SCHEMBL22546653 0.78 DGAT2 (0.44) SLC6A3MIFDGAT2SLC6A4
SCHEMBL18094429 0.77 MIF (0.52) MIFDGAT2
SCHEMBL18094431 0.77 MIF (0.52) MIFDGAT2

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
WO-2025077770-A1 FUSED RING COMPOUND AND USE THEREOF IN KRAS INHIBITOR 成都海博为药业有限公司 2025-04-17 WO disclosed
WO-2025077663-A1 FUSED RING COMPOUND AND USE 成都海博为药业有限公司 2025-04-17 WO disclosed