SCHEMBL31138573

SCHEMBL31138573

Cn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)nc3ccn(COCC[Si](C)(C)C)c23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.42
▸ USP1 O94782 1/20 0.35
▸ HDAC1 Q13547 12/20 0.35
▸ HDAC6 Q9UBN7 12/20 0.35
▸ HDAC5 Q9UQL6 12/20 0.35
▸ HDAC8 Q9BY41 6/20 0.35

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
SCHEMBL31138495 0.89 DGAT1 (0.48) DGAT1USP1
SCHEMBL31138694 0.89 DGAT1 (0.43) DGAT1USP1HDAC1HDAC6HDAC5
SCHEMBL31138420 0.88 DGAT1 (0.42) DGAT1USP1HDAC1HDAC6HDAC5
SCHEMBL31138410 0.87 DGAT1 (0.41) DGAT1USP1HDAC1HDAC6HDAC5
SCHEMBL31138656 0.82 USP1 (0.56) USP1
SCHEMBL31138385 0.78 DGAT1 (0.44) DGAT1USP1HDAC1HDAC6HDAC5
SCHEMBL31138602 0.78 DGAT1 (0.43) DGAT1USP1
SCHEMBL31138471 0.77 DGAT1 (0.48) DGAT1USP1
SCHEMBL31138399 0.77 DGAT1 (0.48) DGAT1USP1
SCHEMBL31138654 0.76 DGAT1 (0.45) DGAT1USP1

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-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
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