SCHEMBL355039

SCHEMBL355039

B.Nc1cccc(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
POLB P06746 1/20 0.42
CALM1 P0DP23 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
DHFR P00374 1/20 0.39
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5 P09917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL398862 0.98 HTR2A (0.48) HTR2APOLBCALM1BCL2BCL2L1
SCHEMBL5793478 0.88 POLB (0.43) HTR2APOLBHPGDSMN1; SMN2CYP3A4
SCHEMBL6557214 0.85 CALM1 (0.52) HTR2APOLBCALM1SMN1; SMN2LOXL2
SCHEMBL1981047 0.84 CYP3A4 (0.50) HTR2ALOXL2CYP3A4
SCHEMBL18050877 0.83 HTR2A (0.47) HTR2APOLBCALM1BCL2BCL2L1
Hydrochloric Acid SCHEMBL2873364 0.83 CALM1 (0.50) POLBCALM1SMN1; SMN2LOXL2PARP1
SCHEMBL7735333 0.83 CALM1 (0.55) HTR2ACALM1BCL2BCL2L1HPGD
SCHEMBL1704793 0.82 CALM1 (0.44) HTR2ACALM1BCL2BCL2L1HPGD
SCHEMBL11131916 0.81 MEN1 (0.40) POLBHPGDCYP3A4
SCHEMBL8975207 0.81 KEAP1 (0.53) CYP2C19ALOX5

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