SCHEMBL23501607

SCHEMBL23501607

Cc1ccc(C(=O)O)cc1NCc1cncc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DDR1 Q08345 3/20 0.46
▸ DDR2 Q16832 3/20 0.46
▸ POLB P06746 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SELL P14151 1/20 0.43
▸ SELP P16109 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29934010 0.88 HDAC8 (0.48) HDAC8HDAC1HDAC6L3MBTL1DDR1
SCHEMBL23501655 0.88 HDAC8 (0.48) HDAC8HDAC1HDAC6L3MBTL1DDR1
SCHEMBL28884708 0.81 HDAC8 (0.49) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL29933875 0.81 HDAC8 (0.49) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL29933394 0.80 TAS1R3 (0.47) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL29934023 0.77 ALDH1A1 (0.64) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL28884580 0.77 ALDH1A1 (0.64) HDAC8HDAC1HDAC6MEN1KMT2A
SCHEMBL23501594 0.75 POLB (0.44) POLBHCAR2KDM4EALDH1A1PKM
SCHEMBL31359391 0.75 PKM (0.51) POLBHCAR2PKMSMN1; SMN2
SCHEMBL29934040 0.75 POLB (0.44) POLBHCAR2KDM4EALDH1A1PKM

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-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 — — WO disclosed
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