SCHEMBL31417588

SCHEMBL31417588

O=C1CCC(c2c(F)cc(N3CC(CC(=O)Nc4cc(OC(F)(F)F)ccc4F)C3)c3c2CCO3)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 2/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ FFAR4 Q5NUL3 5/20 0.35
▸ CSNK1A1 P48729 1/20 0.33
▸ IKZF2 Q9UKS7 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ RIPK1 Q13546 6/20 0.32
▸ RIPK3 Q9Y572 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ BRAF P15056 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
SCHEMBL31417544 0.88 TRPV1 (0.37) CRBNCSNK1A1IKZF2TRPV1KDR
SCHEMBL31417572 0.88 CRBN (0.33) CRBNDDB1FFAR4CSNK1A1IKZF2
SCHEMBL31417643 0.88 CRBN (0.33) CRBNDDB1FFAR4CSNK1A1IKZF2
SCHEMBL26089555 0.86 CRBN (0.42) CRBNDDB1FFAR4CSNK1A1IKZF2
SCHEMBL31417631 0.85 DDB1 (0.39) CRBNDDB1
SCHEMBL31417769 0.81 CSNK1A1 (0.33) CRBNCSNK1A1IKZF2TRPV1KDR
SCHEMBL31417565 0.77 CHRM2 (0.31) CRBNDDB1
SCHEMBL31417616 0.77 CHRM2 (0.31) CRBNDDB1
SCHEMBL31417806 0.77 CHRM2 (0.31) CRBNDDB1
SCHEMBL31417678 0.77 CHRM2 (0.31) CRBNDDB1

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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