3-Nitroaniline

3-Nitroaniline

SCHEMBL356239

B.Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.96
TSHR P16473 5/20 0.67
LMNA P02545 1/20 0.67
TDP1 Q9NUW8 3/20 0.55
ALOX15 P16050 2/20 0.55
ACHE P22303 1/20 0.55
HSP90AA1 P07900 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PDE7A Q13946 1/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
CYP3A4 P08684 1/20 0.50
TP53 P04637 1/20 0.50

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
3-Nitroaniline SCHEMBL29364768 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL1487 0.98 ALDH1A1 (1.00) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL8396231 0.96 ALDH1A1 (0.96) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL28600566 0.96 ALDH1A1 (0.96) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL11094205 0.96 ALDH1A1 (0.96) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL2353805 0.96 ALDH1A1 (0.96) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL27746391 0.94 ALDH1A1 (0.92) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL28807505 0.92 ALDH1A1 (0.88) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL29077622 0.92 ALDH1A1 (0.88) ALDH1A1TSHRLMNATDP1ALOX15
3-Nitroaniline SCHEMBL9655916 0.92 ALDH1A1 (0.88) ALDH1A1TSHRLMNATDP1ALOX15

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-8637703-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2014-01-28 US claimed
US-8637703-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2014-01-28 US disclosed
EP-2007743-B1 METHODS FOR SYNTHESIZING AMMONIA BORANE UNIV OHIO STATE (US) 2013-06-12 EP disclosed
US-20120014857-A1 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY (US) 2012-01-19 US disclosed
US-7977508-B2 Methods for synthesizing ammonia borane THE OHIO STATE UNIVERSITY (US) 2011-07-12 US disclosed
US-20090104102-A1 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY 2009-04-23 US disclosed
EP-2007743-A2 METHODS FOR SYNTHESIZING AMMONIA BORANE The Ohio State University (US) 2008-12-31 EP disclosed
WO-2007120511-A2 METHODS FOR SYNTHESIZING AMMONIA BORANE THE OHIO STATE UNIVERSITY (US) 2007-10-25 WO disclosed