SCHEMBL31138457

SCHEMBL31138457

CCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)nc3ncccc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 2/20 0.41
▸ HDAC1 Q13547 18/20 0.41
▸ HDAC6 Q9UBN7 18/20 0.41
▸ HDAC5 Q9UQL6 18/20 0.41
▸ HDAC8 Q9BY41 9/20 0.39

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
SCHEMBL31138747 0.88 USP1 (0.34) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL31537668 0.87 USP1 (0.44) USP1
SCHEMBL31138428 0.80 USP1 (0.37) USP1HDAC1HDAC6HDAC5
SCHEMBL31138409 0.80 USP1 (0.64) USP1
SCHEMBL31537624 0.78 USP1 (0.38) USP1
SCHEMBL31537586 0.76 DGAT1 (0.52) USP1
SCHEMBL31138675 0.76 USP1 (0.33) USP1HDAC1HDAC6HDAC5
SCHEMBL31138542 0.74 USP1 (0.41) USP1HDAC1HDAC6HDAC8
SCHEMBL31138598 0.72 USP1 (0.42) USP1HDAC1HDAC6HDAC5HDAC8
SCHEMBL22143497 0.71 USP1 (0.44) USP1HDAC1HDAC6HDAC5HDAC8

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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