SCHEMBL27768259

SCHEMBL27768259

NN(C(=O)O)c1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PTK2 Q05397 1/20 0.40
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
PTGIR P43119 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL28139404 0.78 ALDH1A1 (0.48) SMN1; SMN2MEN1ALDH1A1MAPTKMT2A
SCHEMBL27747166 0.74 KMT2A (0.51) L3MBTL1SMN1; SMN2ALDH1A1KMT2APTGIR
SCHEMBL27745477 0.73 MAPT (0.45) L3MBTL1SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL28487270 0.73 ADRA2A (0.41) L3MBTL1PTK2MAOBSMN1; SMN2MEN1
SCHEMBL525912 0.73 ADRA2A (0.41) L3MBTL1PTK2MAOBSMN1; SMN2MEN1
SCHEMBL28028214 0.72 ADRA2A (0.35) L3MBTL1PTK2MAOBSMN1; SMN2MEN1
SCHEMBL11845573 0.71 HCAR3 (0.48) L3MBTL1PTK2SMN1; SMN2ALDH1A1MAPT
SCHEMBL19102454 0.71 ADRA2A (0.41) L3MBTL1PTK2MAOBSMN1; SMN2MEN1
SCHEMBL27619934 0.70 PTK2 (0.47) L3MBTL1PTK2MAOBSMN1; SMN2MEN1
SCHEMBL3953896 0.70 ALOX15 (0.44) L3MBTL1SMN1; SMN2MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289893-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2018-07-17 CN disclosed
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-101821279-A Certain chemical entities, compositions, and methods CYTOKINETICS INC 2010-09-01 CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed