SCHEMBL9550598

SCHEMBL9550598

CCN(C(C)=O)C1c2cc(C#N)ccc2OC(C)(C)C1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 2/20 0.55
ALOX15 P16050 1/20 0.55
KCNE1 P15382 4/20 0.54
KCNQ1 P51787 4/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
KCND3 Q9UK17 1/20 0.54
ABCB1 P08183 14/20 0.51

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
SCHEMBL10916610 0.88 KDM4E (0.73) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9620967 0.88 KDM4E (0.73) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398445 0.82 KDM4E (0.59) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398457 0.82 KDM4E (0.59) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9398440 0.82 KDM4E (0.59) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9397797 0.81 KDM4E (0.57) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL10960231 0.80 KDM4E (0.53) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9397808 0.80 KDM4E (0.56) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL9765451 0.79 KDM4E (0.55) KDM4ECYP3A4ALOX15KCNE1KCNQ1
SCHEMBL10887243 0.77 ABCC9 (0.61) KDM4EABCB1

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