SCHEMBL2635637

SCHEMBL2635637

O=C(O)c1ccc(NCc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.70
MAOB P27338 3/20 0.70
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GRM4 Q14833 1/20 0.53
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK14 Q16539 1/20 0.51
CSNK2A1 P68400 1/20 0.50
PTPN11 Q06124 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 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
SCHEMBL12669970 0.84 MEN1 (0.61) MAOAMAOBNPC1RAB9ALMNA
SCHEMBL30373802 0.83 MAOA (1.00) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL522503 0.83 MAOA (1.00) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12632143 0.82 MAOA (0.58) MAOAMAOBNPC1RAB9ALMNA
SCHEMBL2636298 0.82 MAOA (0.66) MAOAMAOBNPC1RAB9ALMNA
SCHEMBL3635224 0.81 MAOA (0.56) MAOAMAOBNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL4509967 0.81 MAOA (0.96) MAOAMAOBNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL2085180 0.81 MAOA (0.96) MAOAMAOBNPC1RAB9ALMNA
SCHEMBL11714121 0.80 MAOA (0.79) MAOAMAOBNPC1RAB9ALMNA
SCHEMBL6756940 0.80 MAOA (0.65) MAOAMAOBNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 WO claimed
EP-2969977-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION Innovative Environmental Technologies, Inc. (US) 2016-01-20 EP disclosed
US-9221699-B2 Inhibition of methane production during anaerobic reductive dechlorination Innovative Environment Technologies, Inc. (US) 2015-12-29 US disclosed
US-20140322798-A1 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) 2014-10-30 US disclosed
WO-2014153567-A2 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) 2014-09-25 WO disclosed
US-20140251900-A1 INHIBITION OF METHANE PRODUCTION DURING ANAEROBIC REDUCTIVE DECHLORINATION INNOVATIVE ENVIRONMENTAL TECHNOLOGIES, INC. (US) 2014-09-11 US disclosed
CN-102417511-A Acylhydrazone zinc protoporphyrin, and synthesis and application of complex thereof UNIV NORTHWEST NORMAL 2012-04-18 CN disclosed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 WO disclosed
WO-2011140599-A1 CHEMICAL COMPOUND ARRAYS USEFUL FOR DETECTING BACTERIAL PEPTIDES MONASH UNIVERSITY (AU) 2011-11-17 WO disclosed
US-20030219467-A1 Method for the inhibition of methanogensis THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2003-11-27 US disclosed
WO-2003038109-A2 METHOD FOR THE INHIBITION OF METHANOGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2003-05-08 WO disclosed