SCHEMBL26795602

SCHEMBL26795602

CCc1c(C)cc([S@](C)(=N)=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 2/20 0.30
KMT2A Q03164 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
SCHEMBL26795603 1.00 TSHR (0.35) TSHRNPSR1PTGS2KMT2A
SCHEMBL17937375 0.77 DRD1 (0.33) PTGS2
SCHEMBL19829584 0.75 HDAC1 (0.36) PTGS2
SCHEMBL26795519 0.71 CA2 (0.41) TSHRNPSR1PTGS2
SCHEMBL4127316 0.71 VCAM1 (0.34) TSHR
SCHEMBL16018018 0.70 TAAR1 (0.48) KMT2A
SCHEMBL19833060 0.70 CA1 (0.37) PTGS2
SCHEMBL27349746 0.69 ESR1 (0.38) TSHRNPSR1
SCHEMBL23189364 0.69 RAPGEF4 (0.38) KMT2A
SCHEMBL17955224 0.69 RAPGEF4 (0.38)

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
WO-2023220402-A1 ENPP1 MODULATORS AND PRODUCTS AND USES THEREOF GOSSAMER BIO SERVICES, INC. (US) 2023-11-16 WO disclosed