SCHEMBL9734576

SCHEMBL9734576

CCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
NAAA Q02083 2/20 0.55
MGLL Q99685 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 2/20 0.52
CA2 P00918 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL27182370 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL9734391 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL27182365 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL9733961 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL27182359 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL9734781 1.00 PKM (0.64) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL9169640 0.97 PKM (0.60) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL9172752 0.97 PKM (0.60) PKMNAAAMGLLL3MBTL1GAA
SCHEMBL5506840 0.94 PKM (0.63) PKMMGLLL3MBTL1GAAHDAC3
SCHEMBL27182276 0.92 LMNA (0.57) PKMNAAAMGLLL3MBTL1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4345091-A1 BENZOIC ACID DERIVATIVES, METHODS AND USES THEREOF Faculdade de Farmácia da Universidade de Lisboa (PT) 2024-04-03 EP disclosed
US-5086128-A HIGH MOLECULAR WEIGHT ARYLENE SULPHIDE POLYMER MELT MIXED WITH AROMATIC NITRO COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed