SCHEMBL2397577

SCHEMBL2397577

Cc1ccc(NCc2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.73
MAOB P27338 3/20 0.73
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
PTPN11 Q06124 1/20 0.55
GRM4 Q14833 1/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 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
SCHEMBL522503 0.85 MAOA (1.00) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL30373802 0.85 MAOA (1.00) MAOAMAOBNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL4509967 0.83 MAOA (0.96) MAOAMAOBNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL2085180 0.83 MAOA (0.96) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL12994650 0.83 NPC1 (0.68) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL12669965 0.83 MAOA (0.69) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL20837976 0.82 MAOA (1.00) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL10557233 0.82 MAOA (0.73) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL11714121 0.82 MAOA (0.79) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL4493175 0.82 MAOA (0.73) MAOAMAOBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160183564-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RUMINANTS, AND OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2016-06-30 US disclosed
US-20150064305-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING METH-ANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2015-03-05 US disclosed
US-8536243-B2 Two-component system for bone cement TEKNIMED SAS (FR) 2013-09-17 US disclosed
US-20110237705-A1 TWO-COMPONENT SYSTEM FOR BONE CEMENT TEKNIMED SAS (FR) 2011-09-29 US disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed