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Sugi Predict / Compounds / SCHEMBL25901429

SCHEMBL25901429

SCHEMBL25901429

CC(C)(NC(=O)OCc1ccccc1)OCCCCCn1ccc2cc(Br)c(F)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ TNF P01375 6/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMB2 P49721 1/20 0.34

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
SCHEMBL25901535 0.87 ABL1 (0.35) ABL1RIN1MEN1KMT2A
SCHEMBL26792540 0.86 SCD (0.43) HDAC1HDAC6TNFMEN1KMT2A
SCHEMBL25907519 0.76 PSMB1 (0.38) HDAC3HDAC1HDAC6PSMB1
SCHEMBL31058359 0.76 SCD (0.35) HDAC3HDAC1HDAC6
SCHEMBL26782896 0.76 SCD (0.35) HDAC3HDAC1HDAC6
SCHEMBL25318628 0.73 TNF (0.41) HDAC3HDAC1HDAC6TNFPSMB1
SCHEMBL30550878 0.72 TNF (0.42) HDAC3HDAC1HDAC6TNFPSMB1
SCHEMBL25899461 0.72 TNF (0.56) HDAC3HDAC1HDAC6TNFPSMB1
SCHEMBL31058380 0.71 TNF (0.34) TNFABL1RIN1MEN1KMT2A
SCHEMBL26782492 0.71 TNF (0.34) TNFABL1RIN1MEN1KMT2A

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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