SCHEMBL25429997

SCHEMBL25429997

O=C(CCCCN1C(=O)c2ccccc2C(F)C1=O)NCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 8/20 0.40
▸ POLB P06746 2/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ GSTP1 P09211 1/20 0.36
▸ GSTM2 P28161 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL31054036 1.00 MYC (0.40) MYCPOLBHDAC3HDAC1HDAC11
SCHEMBL25342713 0.89 MYC (0.35) MYCGSTP1GSTM2KCNH2
SCHEMBL30520943 0.89 MYC (0.35) MYCGSTP1GSTM2KCNH2
SCHEMBL25343085 0.82 KCNH2 (0.35) MYCGSTP1GSTM2KCNH2ALDH1A1
SCHEMBL30520910 0.82 KCNH2 (0.37) MYCGSTP1GSTM2KCNH2ALDH1A1
SCHEMBL25342882 0.82 KCNH2 (0.37) MYCGSTP1GSTM2KCNH2ALDH1A1
SCHEMBL30521024 0.82 KCNH2 (0.35) MYCGSTP1GSTM2KCNH2ALDH1A1
SCHEMBL30520753 0.77 IDO1 (0.34) MYCKCNH2ALDH1A1HPGD
SCHEMBL25342557 0.77 IDO1 (0.34) MYCKCNH2ALDH1A1HPGD
SCHEMBL31054006 0.74 GSTP1 (0.53) MYCGSTP1GSTM2KCNH2

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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