SCHEMBL3416255

SCHEMBL3416255

NCCc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 6/20 0.57
MAPT P10636 6/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
LMNA P02545 4/20 0.54
RECQL P46063 2/20 0.54
MAPK1 P28482 2/20 0.52
MITF O75030 1/20 0.52
NCOA1 Q15788 1/20 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
SCHEMBL1553245 0.91 POLB (0.63) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5126387 0.82 KDM4E (0.55) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL5128486 0.82 KDM4E (0.55) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL3412784 0.82 MAPT (0.58) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5132595 0.81 KMT2A (0.66) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL16585127 0.77 SMN1; SMN2 (0.60) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1552760 0.77 POLB (0.64) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1552759 0.77 POLB (0.64) POLBSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL15016381 0.77 ROCK2 (0.65) ROCK2
SCHEMBL30828600 0.77 MAPT (0.67) POLBSMN1; SMN2MAPTKMT2AMEN1

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-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP claimed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO claimed
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
WO-2010048673-A1 MODULATION OF CELLULAR DIFFERENTIATION AND USES THEREFOR MURDOCH CHILDRENS RESEARCH INSTITUTE (AU) 2010-05-06 WO disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed