SCHEMBL9397665

SCHEMBL9397665

CC(=O)N(O)[C@H]1c2cc([N+](=O)[O-])ccc2OC(C)(C)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
KCNE1 P15382 11/20 0.43
KCNQ1 P51787 11/20 0.43
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
ABCC9 O60706 2/20 0.41
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KCND3 Q9UK17 1/20 0.39
ABCB1 P08183 3/20 0.38
AKR1B1 P15121 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
SCHEMBL9813939 1.00 KDM4E (0.64) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397720 0.84 KDM4E (0.46) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397730 0.84 KDM4E (0.46) KDM4EKCNE1KCNQ1CYP3A4ALOX15
SCHEMBL9397708 0.84 KDM4E (0.46) KDM4EKCNE1KCNQ1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11611521 0.84 KCNE1 (0.48) KDM4EKCNE1KCNQ1CYP3A4ABCC9
Hydrochloric Acid SCHEMBL11611531 0.84 KCNE1 (0.48) KDM4EKCNE1KCNQ1CYP3A4ABCC9
Hydrochloric Acid SCHEMBL11611527 0.84 KCNE1 (0.48) KDM4EKCNE1KCNQ1CYP3A4ABCC9
SCHEMBL9398509 0.81 KDM4E (0.68) KDM4EKCNE1KCNQ1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL11611584 0.81 KCNE1 (0.46) KDM4EKCNE1KCNQ1CYP3A4ABCC9
Hydrochloric Acid SCHEMBL11611577 0.81 KCNE1 (0.46) KDM4EKCNE1KCNQ1CYP3A4ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed