SCHEMBL9200469

SCHEMBL9200469

CN1[C@@H]2CC[C@H]1C[C@@H](N(Cc1ccccc1[N+](=O)[O-])C(=O)O)C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL9200471 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL9198555 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ECHRM2
SCHEMBL9198552 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1KDM4ECHRM2
SCHEMBL9200027 0.85 NOS3 (0.55) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL9200033 0.85 NOS3 (0.55) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL9196158 0.84 CHRM1 (0.45) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL9196156 0.84 CHRM1 (0.45) ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1053908 0.82 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL1427866 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL9203749 0.77 MEN1 (0.41) KMT2AMEN1ALDH1A1CHRM2CHRM1

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-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed