SCHEMBL29063087

SCHEMBL29063087

[N-]=[N+]=N/C(=C\c1ccc(Cl)cc1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMO O15229 2/20 0.32
▸ GRM2 Q14416 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
SCHEMBL24113473 0.84 CYP11B1 (0.34) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL30008870 0.84 CYP11B1 (0.34) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL20535994 0.83 GRIK1 (0.34) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL23147748 0.83 GLA (0.35) KMT2AMAPTMEN1GRM2MIF
SCHEMBL20535997 0.83 GRIK1 (0.34) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL18990057 0.83 ALDH1A1 (0.38) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL18990052 0.83 ALDH1A1 (0.38) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL18990053 0.83 ALDH1A1 (0.38) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL19332373 0.81 CES2 (0.33) ALDH1A1
SCHEMBL18299918 0.81 CYP1A1 (0.38) KMT2AMEN1ALDH1A1CYP11B1CYP11B2

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-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 — — CN disclosed
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