SCHEMBL357435

SCHEMBL357435

B.COc1ccc(N)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.94
MAPK1 P28482 2/20 0.94
ALDH1A1 P00352 5/20 0.89
CYP3A4 P08684 3/20 0.89
APP P05067 2/20 0.70
NR4A1 P22736 1/20 0.70
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL5097 0.97
SCHEMBL8526630 0.97 TDP1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
Ethane SCHEMBL11031442 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL3947579 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL8603841 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL208637 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL5601373 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Methane SCHEMBL22289589 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL21840887 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL4376059 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP

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