SCHEMBL7865709

SCHEMBL7865709

CC(=N)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.73
KMT2A Q03164 8/20 0.68
MAPT P10636 7/20 0.68
MEN1 O00255 7/20 0.68
POLB P06746 3/20 0.68
DDX3X O00571 2/20 0.68
HTT P42858 2/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
ALDH1A1 P00352 6/20 0.63
BLM P54132 1/20 0.60
MAPK1 P28482 2/20 0.56
HSP90AA1 P07900 1/20 0.56
HPGD P15428 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56
BAZ1A Q9NRL2 1/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL6725074 0.86 KMT2A (0.72) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL12523964 0.85 SMN1; SMN2 (0.76) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL1248559 0.85 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL1592991 0.83 KMT2A (0.68) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL3126901 0.83 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL4185556 0.83 SMN1; SMN2 (0.63) SMN1; SMN2KMT2AMAPTMEN1POLB
Hydrochloric Acid SCHEMBL1592637 0.82 KMT2A (0.66) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL1047211 0.81 MEN1 (1.00) SMN1; SMN2KMT2AMAPTMEN1POLB
Nitric Acid SCHEMBL2283510 0.81 KMT2A (0.64) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL30856804 0.80 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMAPTMEN1POLB

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed