SCHEMBL27345792

SCHEMBL27345792

Cc1nc(C(F)(F)F)ccc1SN1CC2CCCC2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ MBOAT4 Q96T53 1/20 0.31
▸ HCRTR1 O43613 4/20 0.31
▸ IDH1 O75874 2/20 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
SCHEMBL27346362 0.81 KCNH2 (0.32) KDM4ECXCR4
SCHEMBL27346579 0.78 MAP3K12 (0.31) KDM4ECXCR4
SCHEMBL27346564 0.78 CHRM4 (0.37) —
SCHEMBL27346072 0.78 PTGS2 (0.34) IDH1
SCHEMBL27346552 0.78 NR1H2 (0.38) IDH1
SCHEMBL27346544 0.76 GRIN2B (0.31) GRIN2B
SCHEMBL26065735 0.72 HTR2A (0.33) KDM4ECXCR4
SCHEMBL27345826 0.72 TRPV4 (0.45) KDM4E
SCHEMBL25890475 0.71 HTR2A (0.33) KDM4ECXCR4
SCHEMBL22924540 0.69 KDM4E (0.50) KDM4ECXCR4

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-2024015503-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-18 — — WO disclosed
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