SCHEMBL9550576

SCHEMBL9550576

CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.39
ABCC9 O60706 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL9550572 1.00 KCNH2 (0.53) KCNH2MAPTNPSR1HTTABCC9
SCHEMBL9550575 1.00 KCNH2 (0.53) KCNH2MAPTNPSR1HTTABCC9
SCHEMBL10886491 0.95 KCNH2 (0.49) KCNH2MAPTNPSR1HTTABCC9
SCHEMBL10886505 0.95 KCNH2 (0.49) KCNH2MAPTNPSR1HTTABCC9
SCHEMBL10886498 0.95 KCNH2 (0.49) KCNH2MAPTNPSR1HTTABCC9
Methyl Alcohol SCHEMBL11187636 0.88 KCNH2 (0.49) KCNH2MAPTNPSR1HTTKMT2A
Methyl Alcohol SCHEMBL11187643 0.88 KCNH2 (0.49) KCNH2MAPTNPSR1HTTKMT2A
Methyl Alcohol SCHEMBL11187638 0.88 KCNH2 (0.49) KCNH2MAPTNPSR1HTTKMT2A
SCHEMBL10724313 0.87 KCNH2 (0.49) KCNH2MAPTNPSR1ABCC9KMT2A
SCHEMBL10724327 0.87 KCNH2 (0.49) KCNH2MAPTNPSR1ABCC9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP claimed
EP-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP claimed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
EP-0095316-B1 PHARMACEUTICALLY ACTIVE AMINOBENZOPYRANS BEECHAM GROUP PLC (GB) 1986-12-03 EP disclosed
US-4568692-A LOWERING BLOOD PRESSURE BEECHAM GROUP P.L.C. 1986-02-04 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