SCHEMBL3645767

SCHEMBL3645767

COc1cc([CH]c2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
KDM4E B2RXH2 4/20 0.77
MAPT P10636 2/20 0.77
CYP3A4 P08684 2/20 0.77
ALOX15 P16050 1/20 0.77
PRKDC P78527 1/20 0.77
HSD17B10 Q99714 1/20 0.77
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP19A1 P11511 1/20 0.48
PLIN1 O60240 1/20 0.46
PABPC1 P11940 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL123899 0.87 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL211200 0.87 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL11670410 0.85 MAPT (0.62) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL9838976 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL28054126 0.84 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL210330 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29800558 0.83 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL7631563 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL10478006 0.82 MAPT (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL7631569 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP claimed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US claimed
US-8480662-B2 Systems and devices for photoablation CARDIAC PACEMAKERS, INC. (US) 2013-07-09 US disclosed
EP-2188014-A1 SYSTEMS AND DEVICES FOR PHOTOABLATION Cardiac Pacemakers, Inc. (US) 2010-05-26 EP disclosed
WO-2009025826-A1 SYSTEMS AND DEVICES FOR PHOTOABLATION CARDIAC PACEMAKERS, INC. (US) 2009-02-26 WO disclosed
US-20090054883-A1 Systems and devices for photoablation CARDIAC PACEMAKERS, INC. (US) 2009-02-26 US disclosed
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP disclosed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US disclosed