SCHEMBL8141010

SCHEMBL8141010

Nc1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
NCF1 P14598 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 5/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL8561095 0.82 MEN1 (0.42) HTTNCF1ROCK1ALDH1A1TDP1
SCHEMBL8564386 0.82 ALDH1A1 (0.41) ALDH1A1TDP1MAPTCYP3A4ALOX15
SCHEMBL8567050 0.80 ROCK1 (0.34) HTTNCF1ROCK1ALDH1A1TDP1
SCHEMBL28984045 0.80 S1PR4 (0.39) HTTNCF1ALDH1A1TDP1MAPT
SCHEMBL18474451 0.80 ALDH1A1 (0.39) HTTROCK1ALDH1A1TDP1MAPT
SCHEMBL8385465 0.80 CYP3A4 (0.40) HTTNCF1ROCK1ALDH1A1TDP1
SCHEMBL3218043 0.80 NOS3 (0.50) HTTALDH1A1TDP1MAPTCYP3A4
SCHEMBL3709618 0.80 GAA (0.39) HTTROCK1ALDH1A1TDP1MAPT
SCHEMBL8565247 0.76 ALDH1A1 (0.41) HTTROCK1ALDH1A1TDP1MAPT
SCHEMBL8562204 0.76 S1PR4 (0.38) ROCK1ALDH1A1MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829812-B1 Amplification of oligonucleotides containing non-standard nucleotides NATIONAL SCIENCE FOUNDATION 2020-11-10 US disclosed
US-6069277-A Amination of electrophilic aromatic compounds by vicarious nucleophilic substitution THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-30 US disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
EP-0835237-A1 AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-15 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
WO-1996035659-A1 AMINATION OF ELECTROPHILIC AROMATIC COMPOUNDS BY VICARIOUS NUCLEOPHILIC SUBSTITUTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-11-14 WO disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-5145482-A Hair dye compositions based on 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
US-4950302-A Process for the production of 2,5-diamino-6-nitro-pyridine derivatives, their use in hair dye compositions and new 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed