SCHEMBL31138563

SCHEMBL31138563

Cn1ccc2nc(Cl)nc(OCc3cnc(-c4nc(C(F)(F)F)cn4C4CC4)c(F)c3)c21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 10/20 0.34
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ HDAC5 Q9UQL6 3/20 0.32
▸ PLA2G7 Q13093 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
SCHEMBL31138488 0.89 USP1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31138572 0.87 USP1 (0.34) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31138496 0.85 USP1 (0.33) USP1
SCHEMBL31138552 0.83 USP1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31138509 0.81 USP1 (0.33) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL31254619 0.81 USP1 (0.37) USP1HDAC1HDAC6HDAC5
SCHEMBL31138703 0.81 USP1 (0.43) USP1
SCHEMBL31138668 0.80 DGAT1 (0.35) USP1
SCHEMBL31138675 0.80 USP1 (0.33) USP1HDAC1HDAC6HDAC5
SCHEMBL31254708 0.77 USP1 (0.33) USP1PLA2G7

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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