SCHEMBL9742503

SCHEMBL9742503

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])C1OC1C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.39
KCNH2 Q12809 1/20 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 0.95 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL12961840 0.95 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL13951737 0.95 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL6161775 0.95 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL6163980 0.83 KCNH2 (0.47) MAPTHTTKCNH2KMT2APOLB
SCHEMBL6163946 0.82 KCNH2 (0.44) NPSR1MAPTKCNH2KMT2APOLB
SCHEMBL6978258 0.81 HCAR3 (0.52) MAPTHTTKCNH2KMT2APOLB
SCHEMBL10726992 0.81 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL10726981 0.81 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A
SCHEMBL10726985 0.81 KCNH2 (0.42) NPSR1MAPTHTTKCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP 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-4568692-A LOWERING BLOOD PRESSURE BEECHAM GROUP P.L.C. 1986-02-04 US 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-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