SCHEMBL31138552

SCHEMBL31138552

Fc1cc(COc2nc(Cl)nc3ccoc23)cnc1-c1nc(C(F)(F)F)cn1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.33
▸ HDAC6 Q9UBN7 7/20 0.31
▸ HDAC1 Q13547 6/20 0.31
▸ HDAC5 Q9UQL6 6/20 0.31
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL31138559 0.86 HDAC1 (0.33) USP1HDAC6HDAC1HDAC5HDAC8
SCHEMBL31155899 0.85 USP1 (0.41) USP1HDAC6HDAC1HDAC5HDAC8
SCHEMBL31138614 0.84 USP1 (0.35) USP1HDAC6HDAC1HDAC5HDAC8
SCHEMBL31138563 0.83 USP1 (0.34) USP1HDAC6HDAC1HDAC5HDAC8
SCHEMBL31138675 0.82 USP1 (0.33) USP1HDAC6HDAC1HDAC5
SCHEMBL31138496 0.82 USP1 (0.33) USP1
SCHEMBL31138764 0.80 USP1 (0.42) USP1
SCHEMBL31254619 0.80 USP1 (0.37) USP1HDAC6HDAC1HDAC5
SCHEMBL31138509 0.79 USP1 (0.33) USP1HDAC6HDAC1HDAC5HDAC8
SCHEMBL31138630 0.74 USP1 (0.34) USP1HDAC6

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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