SCHEMBL25425260

SCHEMBL25425260

NCc1ccc2ccn(Cc3cn(CCCNC(=O)O)nn3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 17/20 0.45
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL29208505 0.87 EP300 (0.42) EP300HDAC8HDAC3HDAC4HDAC1
SCHEMBL25423945 0.84 ALDH1A1 (0.46) EP300HDAC1
SCHEMBL25426067 0.83 CPB2 (0.36) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208382 0.83 EP300 (0.43) EP300HDAC8HDAC3HDAC4HDAC1
SCHEMBL25425543 0.73 TSHR (0.49) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208421 0.72 ALDH1A1 (0.41) EP300
SCHEMBL29208507 0.70 NAMPT (0.37) HDAC8
SCHEMBL25421576 0.70 TSHR (0.51) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL29208433 0.68 EP300 (0.41) EP300HDAC8HDAC1HDAC2HDAC6
SCHEMBL30991815 0.68 MTNR1A (0.42) HDAC8HDAC1HDAC6

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
EP-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 — — EP disclosed
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