SCHEMBL7399083

SCHEMBL7399083

Cc1cc(C(N)=NO)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
RECQL P46063 1/20 0.46
KDM1A O60341 7/20 0.43
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 3/20 0.39

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
SCHEMBL2726619 0.85 LMNA (0.51) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL19798095 0.82 LMNA (0.49) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL16367706 0.82 LMNA (0.66) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL7971868 0.82 LMNA (0.66) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL17737724 0.82 LMNA (0.66) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL15276141 0.78 KMT2A (0.43) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL25384548 0.77 KDM1A (0.45) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL648200 0.77 CHRNA1 (0.41) L3MBTL1KMT2ACHRNA1CHRNGCHRNB1
SCHEMBL30509229 0.77 KDM1A (0.45) L3MBTL1KMT2ALMNAGFERRECQL
SCHEMBL648199 0.77 CHRNA1 (0.41) L3MBTL1KMT2ACHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799226-B1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-02-07 EP disclosed
US-5972951-A Tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-26 US disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0799226-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1996019477-A1 TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
US-5510350-A USEFUL IN TREATMENT OR PROPHYLAXIS OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS GLAXO GROUP LIMITED (GB) 1996-04-23 US disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
US-5340810-A Useful in the treatment and prophylaxis of depression and other disorders of the central nervous system GLAXO GROUP LIMITED (GB) 1994-08-23 US disclosed
EP-0533268-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed