SCHEMBL356292

SCHEMBL356292

B.COc1cccc(N)c1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.95
ALDH1A1 P00352 2/20 0.95
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 2/20 0.57
MAOB P27338 1/20 0.56
ACHE P22303 1/20 0.54
CYP19A1 P11511 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29371962 0.98
SCHEMBL66692 0.98
SCHEMBL30713827 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL2436899 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Phosphine SCHEMBL28034584 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL4377523 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL28812161 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
SCHEMBL28853908 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrogen Sulfide SCHEMBL27573196 0.95 CYP3A4 (0.95) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB
Hydrochloric Acid SCHEMBL27742994 0.93 CYP3A4 (0.91) CYP3A4ALDH1A1SMN1; SMN2TP53MAOB

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