SCHEMBL9254780

SCHEMBL9254780

NCCCNc1ccc(C(=O)NCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 6/20 0.56
HCAR3 P49019 4/20 0.56
PRSS1 P07477 4/20 0.55
MAPT P10636 5/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL9248878 0.92 HCAR3 (0.59) HCAR3PRSS1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL9255161 0.87 KAT2B (0.57) KAT2BHCAR3PRSS1MAPTKMT2A
SCHEMBL9247817 0.87 HCAR3 (0.71) HCAR3PRSS1MAPTKMT2ALMNA
SCHEMBL9251141 0.85 MAPT (0.62) HCAR3MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9251399 0.82 HCAR3 (0.64) HCAR3MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9248816 0.82 MAPT (0.58) HCAR3MAPTKMT2ALMNAALDH1A1
SCHEMBL9251070 0.81 KDM4E (0.56) HCAR3MAPTKMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL28722113 0.81 PRSS1 (0.68) KAT2BHCAR3PRSS1MAPTKMT2A
SCHEMBL2652097 0.79 GCG (0.59) MAPTKMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL27077338 0.79 HCAR3 (0.75) HCAR3MAPTKMT2AALDH1A1

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed