SCHEMBL31053925

SCHEMBL31053925

O=C1c2cccc(F)c2C(=O)N1CCCCCCCC(=O)N(c1ccc(F)cc1C1CC1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ MYC P01106 6/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ IDO1 P14902 3/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL25342017 0.89 POLB (0.37) POLBMYCHDAC3HDAC1HDAC11
SCHEMBL30520827 0.89 POLB (0.37) POLBMYCHDAC3HDAC1HDAC11
SCHEMBL30521537 0.88 ALDH1A1 (0.37) POLBMYCDRD2ALDH1A1IDO1
SCHEMBL25342588 0.88 ALDH1A1 (0.37) POLBMYCDRD2ALDH1A1IDO1
SCHEMBL30520743 0.88 POLB (0.36) POLBMYCDRD2ALDH1A1IDO1
SCHEMBL25342122 0.88 POLB (0.36) POLBMYCDRD2ALDH1A1IDO1
SCHEMBL25342611 0.87 POLB (0.33) POLBMYCIDO1TDO2LMNA
SCHEMBL30521090 0.87 POLB (0.33) POLBMYCIDO1TDO2LMNA
SCHEMBL25342753 0.87 ACHE (0.37) POLBMYCDRD2ALDH1A1IDO1
SCHEMBL30521077 0.87 ACHE (0.37) POLBMYCDRD2ALDH1A1IDO1

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
CN-118574822-A Novel PROTAC compounds 甘李药业股份有限公司 2024-08-30 — — CN disclosed
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