SCHEMBL8893097

SCHEMBL8893097

C=CCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 17/20 1.00
MAPT P10636 1/20 0.57
CASP6 P55212 1/20 0.54

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
SCHEMBL22499577 0.83 HCAR3 (0.70) HCAR3MAPT
SCHEMBL22499579 0.83 HCAR3 (0.70) HCAR3MAPT
SCHEMBL24032 0.81 HCAR3 (1.00) HCAR3MAPTCASP6
Hydrochloric Acid SCHEMBL1602524 0.80 HCAR3 (0.97) HCAR3MAPTCASP6
SCHEMBL1066375 0.80 HCAR3 (0.77) HCAR3MAPT
SCHEMBL1252601 0.80 HCAR3 (0.66) HCAR3MAPT
SCHEMBL2688335 0.79 HCAR3 (1.00) HCAR3MAPT
SCHEMBL27077338 0.79 HCAR3 (0.75) HCAR3MAPT
SCHEMBL2318464 0.79 HCAR3 (0.65) HCAR3CASP6
SCHEMBL31555875 0.79 HCAR3 (0.75) HCAR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012102937-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2012-08-02 WO disclosed
US-5685881-A Aromatic allylaminonitro compounds, hair dye compositions containing aromatic allylaminonitio compounds, and synthetic and natural fiber dyeing process HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-11-11 US disclosed
EP-0671900-A1 ALLYLAMINO-NITROAROMATES. HENKEL KGAA (DE) 1995-09-20 EP disclosed
WO-1994012149-A1 ALLYLAMINO-NITROAROMATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-06-09 WO disclosed