SCHEMBL7510384

SCHEMBL7510384

NC(=O)c1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
GAA P10253 4/20 0.50
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDK1 Q15118 1/20 0.49
LMNA P02545 7/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
CTPS1 P17812 1/20 0.46
MEN1 O00255 1/20 0.45
CASP6 P55212 1/20 0.45

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
SCHEMBL8758475 0.85 PARP1 (0.61) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL11603905 0.85 PARP1 (0.61) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL1091563 0.85 PDK1 (0.66) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6953865 0.85 PARP1 (0.61) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL40979 0.85 CASP6 (0.64) PDK1LMNATSHRCASP6
SCHEMBL7527156 0.84 PDK1 (0.49) PARP1PDK1LMNATSHRCASP6
SCHEMBL28269442 0.84 PDK1 (0.52) PARP1ALDH1A1PDK1LMNAKMT2A
SCHEMBL6112769 0.83 PARP1 (0.55) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL11321018 0.83 PDK1 (0.46) PARP1GAAALDH1A1PDK1LMNA
SCHEMBL1018568 0.80 VCAM1 (0.58) ALDH1A1PDK1LMNAHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027226-A2 HIGHLY FUNCTIONALIZED POLYETHYLENE GLYCOL GRAFTED POLYSTYRENE SUPPORTS ARGONAUT TECHNOLOGIES, INC. (US) 1997-07-31 WO claimed
US-4101721-A Solid phase synthesis of protected peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-07-18 US claimed
WO-2002020630-A1 PROCESS FOR THE PREPARATION OF GLYCEROL-BASED CROSSLINKED POLYMERIC GELS LIPAL BIOCHEMICALS (CH) 2002-03-14 WO disclosed
US-20020032262-A1 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds ZHANG JINFANG (US) 2002-03-14 US disclosed
US-6017768-A FOR SCREENING AGONISTS OR ANTAGONISTS OF ALPHA ADRENERGIC RECEPTORS, DOPAMINE RECEPTORS, SIGMA OPIATE RECEPTORS, POTASSIUM ION CHANNELS, CARBONIC ANHYDRASE INHIBITORS; FOR TREATMENT OF GLAUCOMA PHARMACOPEIA, INC. (US) 2000-01-25 US disclosed
EP-0864087-A4 COMBINATORIAL DIHYDROBENZOPYRAN LIBRARY PHARMACOPEIA INC (US) 1999-04-07 EP disclosed
US-5821130-A CHEMICAL INTERMEDIATES PHARMACOPEIA, INC. (US) 1998-10-13 US disclosed
EP-0864087-A1 COMBINATORIAL DIHYDROBENZOPYRAN LIBRARY PHARMACOPEIA, INC. (US) 1998-09-16 EP disclosed
WO-1997016729-A9 COMBINATORIAL DIHYDROBENZOPYRAN LIBRARY 1997-08-07 WO disclosed
WO-1997027226-A2 HIGHLY FUNCTIONALIZED POLYETHYLENE GLYCOL GRAFTED POLYSTYRENE SUPPORTS ARGONAUT TECHNOLOGIES, INC. (US) 1997-07-31 WO disclosed
WO-1997016729-A1 COMBINATORIAL DIHYDROBENZOPYRAN LIBRARY PHARMACOPEIA, INC. (US) 1997-05-09 WO disclosed
EP-0038117-A1 Methods for preparing anti-hypertensive agents UNIVERSITY OF MIAMI (US) 1981-10-21 EP disclosed
US-4189605-A 3-Nitro-4-bromomethyl benzoic acid WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-02-19 US disclosed
US-4101721-A Solid phase synthesis of protected peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-07-18 US disclosed
US-4062746-A Solid phase synthesis of protected peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1977-12-13 US disclosed
US-4021387-A PARASITICIDES, ANAPHYLAXIS, BRONCHIAL ASTHMA PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1977-05-03 US disclosed