SCHEMBL8758475

SCHEMBL8758475

NCc1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDK1 Q15118 1/20 0.50
LMNA P02545 7/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
CTPS1 P17812 1/20 0.47
CASP6 P55212 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL11603905 1.00 PARP1 (0.61) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL1091563 0.87 PDK1 (0.66) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6953865 0.87 PARP1 (0.61) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL10632442 0.87 PDK1 (0.50) PARP1ALDH1A1PDK1LMNAMAPT
SCHEMBL1251308 0.87 CASP6 (0.64) PDK1LMNATSHRCASP6
SCHEMBL9197453 0.87 PARP1 (0.57) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL27639792 0.85 PDK1 (0.52) PARP1ALDH1A1PDK1LMNATSHR
SCHEMBL7510384 0.85 PARP1 (0.59) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL6112769 0.81 PARP1 (0.55) PARP1GAAALDH1A1PKML3MBTL1
Sulfuric Acid SCHEMBL6393967 0.81 CASP6 (0.57) LMNATSHRPOLBCASP6

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
US-4101721-A Solid phase synthesis of protected peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1978-07-18 US claimed
EP-0548217-B1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES BUCHARDT OLE (DK) 1997-04-09 EP disclosed
US-5580751-A REACTING A PEPTIDE WITH A NUCLEOPHILIC AMINE IN THE PRESENCE OF TRYPSIN OR A CARBOXYPEPIDASE; NONENZYMATICALLY CLEAVING TO FORM THE PRODUCT CARLSBERG A/S (DK) 1996-12-03 US disclosed
EP-0548217-A1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES. BUCHARDT OLE (DK) 1993-06-30 EP disclosed
WO-1992005271-A1 PROCESS FOR THE PREPARATION OF C-TERMINALLY AMIDATED PEPTIDES BUCHARDT OLE (DK) 1992-04-02 WO 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