SCHEMBL6161775

SCHEMBL6161775

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C1OC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
CCR6 P51684 1/20 0.36
PKM P14618 2/20 0.36
PDE7A Q13946 1/20 0.35
ALDH3A1 P30838 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL14765557 1.00 KCNH2 (0.42) KCNH2NPSR1MAPTHTTKMT2A
SCHEMBL12961840 1.00 KCNH2 (0.42) KCNH2NPSR1MAPTHTTKMT2A
SCHEMBL13951737 1.00 KCNH2 (0.42) KCNH2NPSR1MAPTHTTKMT2A
SCHEMBL9742503 0.95 NPSR1 (0.41) KCNH2NPSR1MAPTHTTKMT2A
SCHEMBL6163980 0.88 KCNH2 (0.47) KCNH2MAPTHTTKMT2APOLB
SCHEMBL6163946 0.87 KCNH2 (0.44) KCNH2NPSR1MAPTKMT2APOLB
SCHEMBL6978258 0.86 HCAR3 (0.52) KCNH2MAPTHTTKMT2APOLB
SCHEMBL6980817 0.83 KCNH2 (0.56) KCNH2MAPTHTTKMT2ALMNA
SCHEMBL27485566 0.82 HCAR3 (0.41) KCNH2MAPTPOLBLMNASMN1; SMN2
SCHEMBL9663756 0.81 KCNH2 (0.47) KCNH2NPSR1MAPTHTTKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212314-B1 BENZOPYRAN DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2005-11-30 EP disclosed
US-6589983-B1 Antiarrhythmic agents having the prolongation effect on the functional refractory period as a main function NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-08 US disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed
US-4644070-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1987-02-17 US disclosed
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP disclosed
EP-0091748-B1 ANTIHYPERTENSIVE BENZOPYRANOLS BEECHAM GROUP PLC (GB) 1986-06-18 EP disclosed
US-4542149-A HYPOTENSIVE BEECHAM GROUP P.L.C. (GB) 1985-09-17 US disclosed
US-4481214-A 4-Acylaminobenzopyrans useful as anti-hypertensive agents BEECHAM GROUP P.L.C. (GB) 1984-11-06 US disclosed
EP-0033612-B1 PYRANO DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-04-11 EP disclosed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed
EP-0091748-A1 Antihypertensive benzopyranols BEECHAM GROUP PLC (GB) 1983-10-19 EP disclosed
EP-0028064-B1 CHROMANOL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION COMPRISING THEM BEECHAM GROUP PLC (GB) 1983-07-20 EP disclosed
US-4363811-A Anti-hypertensive chromanol derivatives BEECHAM GROUP LIMITED (GB) 1982-12-14 US disclosed
US-4327099-A HYPOTENSIVE AGENTS, PYRANO(2,3-F)BENZIMIDAZOLE BEECHAM GROUP LIMITED (GB) 1982-04-27 US disclosed
EP-0033612-A1 Pyrano derivatives, a process for their preparation and antihypertensive compositions containing them BEECHAM GROUP PLC (GB) 1981-08-12 EP disclosed
EP-0028064-A1 Chromanol derivatives, a process for their preparation and a pharmaceutical composition comprising them BEECHAM GROUP PLC (GB) 1981-05-06 EP disclosed