SCHEMBL9251399

SCHEMBL9251399

CNc1ccc(C(=O)NCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 7/20 0.64
CDC25B P30305 1/20 0.55
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRA P10827 2/20 0.48
VDR P11473 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2250938 0.87 HCAR3 (0.68) HCAR3CDC25BALDH1A1L3MBTL1THRA
SCHEMBL9248878 0.85 HCAR3 (0.59) HCAR3ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL22382403 0.85 HCAR3 (0.64) HCAR3CDC25BALDH1A1SMN1; SMN2NPC1
SCHEMBL16673894 0.84 LMNA (0.56) HCAR3CDC25BALDH1A1NPC1RAB9A
SCHEMBL7979954 0.84 HCAR3 (0.67) HCAR3CDC25BALDH1A1NPC1RAB9A
SCHEMBL5378190 0.83 HCAR3 (0.69) HCAR3CDC25BALDH1A1MAPTHTT
SCHEMBL9247817 0.83 HCAR3 (0.71) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9254780 0.82 KAT2B (0.56) HCAR3ALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL9248816 0.82 MAPT (0.58) HCAR3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2652097 0.82 GCG (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AHSP90AA1

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