SCHEMBL31138559

SCHEMBL31138559

Cn1cc(C(F)(F)F)nc1-c1ncc(COc2nc(Cl)nc3ccoc23)cc1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC5 Q9UQL6 6/20 0.33
▸ HDAC8 Q9BY41 3/20 0.33
▸ USP1 O94782 13/20 0.33
▸ MMP13 P45452 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
SCHEMBL31138614 0.89 USP1 (0.35) HDAC1HDAC6HDAC5HDAC8USP1
SCHEMBL31138552 0.86 USP1 (0.33) HDAC1HDAC6HDAC5HDAC8USP1
SCHEMBL31138403 0.84 USP1 (0.42) USP1
SCHEMBL31138488 0.84 USP1 (0.33) HDAC1HDAC6HDAC5HDAC8USP1
SCHEMBL31138404 0.82 HTR2C (0.35) USP1MMP13
SCHEMBL31138428 0.81 USP1 (0.37) HDAC1HDAC6HDAC5USP1
SCHEMBL31138511 0.79 USP1 (0.32) HDAC1HDAC6HDAC5HDAC8USP1
SCHEMBL31155907 0.78 USP1 (0.38) USP1
SCHEMBL31138572 0.77 USP1 (0.34) HDAC1HDAC6HDAC5HDAC8USP1
SCHEMBL31155858 0.75 USP1 (0.42) USP1

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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