SCHEMBL9251806

SCHEMBL9251806

N#Cc1ccc(C(=O)CNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 17/20 0.60
MAPT P10636 1/20 0.51
KAT2B Q92831 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
SCHEMBL9251007 0.89 KAT2B (0.47) HCAR3MAPTKAT2B
SCHEMBL9248817 0.87 LMNA (0.55) HCAR3MAPTKAT2B
SCHEMBL401028 0.86 HCAR3 (0.67) HCAR3MAPT
SCHEMBL9253843 0.81 HCAR3 (0.47) HCAR3MAPTKAT2B
SCHEMBL9254715 0.79 HCAR3 (0.45) HCAR3MAPTKAT2B
SCHEMBL24993978 0.76 KAT2B (0.63) HCAR3MAPTKAT2B
SCHEMBL24032 0.75 HCAR3 (1.00) HCAR3MAPT
SCHEMBL1066375 0.74 HCAR3 (0.77) HCAR3MAPT
Hydrochloric Acid SCHEMBL1602524 0.74 HCAR3 (0.97) HCAR3MAPT
SCHEMBL16634599 0.74 HCAR3 (0.53) HCAR3MAPTKAT2B

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed