SCHEMBL25341098

SCHEMBL25341098

O=C1c2cccc(F)c2C(=O)N1CCCCCCCC(=O)N(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MYC P01106 5/20 0.38
▸ IDO1 P14902 3/20 0.36
▸ TDO2 P48775 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 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
SCHEMBL30520877 0.86 ALDH1A1 (0.39) POLBIDO1TDO2ALDH1A1HPGD
SCHEMBL30521137 0.85 ACHE (0.38) POLBIDO1TDO2ALDH1A1HPGD
SCHEMBL25341745 0.85 ACHE (0.38) POLBIDO1TDO2ALDH1A1HPGD
SCHEMBL31053925 0.81 POLB (0.44) POLBHDAC3HDAC1HDAC11HDAC8
SCHEMBL25343022 0.81 ACHE (0.37) POLBIDO1TDO2ALDH1A1HPGD
SCHEMBL25341816 0.74 ALDH1A1 (0.35) POLBHDAC1HDAC8HDAC6MYC
SCHEMBL30520827 0.73 POLB (0.37) POLBHDAC3HDAC1HDAC11HDAC8
SCHEMBL25342017 0.73 POLB (0.37) POLBHDAC3HDAC1HDAC11HDAC8
SCHEMBL30521247 0.73 IDO1 (0.49) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL25342122 0.72 POLB (0.36) POLBMYCIDO1TDO2ALDH1A1

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-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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