SCHEMBL31254863

SCHEMBL31254863

CC(O)c1cnc(Cl)nc1OCc1ccc(-c2nc(C(F)(F)F)cn2C)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 11/20 0.41
▸ HDAC1 Q13547 9/20 0.38
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC5 Q9UQL6 9/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38

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
SCHEMBL31254911 0.90 USP1 (0.43) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31255089 0.86 USP1 (0.42) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254682 0.86 USP1 (0.42) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254650 0.86 USP1 (0.49) USP1
SCHEMBL31254921 0.86 USP1 (0.41) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254707 0.85 USP1 (0.45) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254760 0.81 USP1 (0.40) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254810 0.80 USP1 (0.40) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31138370 0.80 USP1 (0.39) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31254597 0.78 USP1 (0.50) 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-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 — — WO disclosed
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