SCHEMBL27465671

SCHEMBL27465671

CCOc1cccc(C(=O)O)c1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
HCRTR1 O43613 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PTK2B Q14289 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5706011 0.87 KMT2A (0.50) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL2479864 0.86 TSHR (0.51) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL27850860 0.85 HCRTR1 (0.47) TSHRHSD17B10L3MBTL1GLAKMT2A
SCHEMBL27926910 0.83 HCRTR1 (0.50) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL16960258 0.82 HPGD (0.44) TSHRHSD17B10L3MBTL1LMNAGLA
Benzene SCHEMBL27314454 0.82 ALDH1A1 (0.65) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL124831 0.82 ALDH1A1 (0.65) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL539003 0.81 KLK1 (0.52) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL2345074 0.81 PTGER1 (0.52) TSHRHSD17B10L3MBTL1LMNAGLA
SCHEMBL29768766 0.81 MAPK1 (0.53) TSHRHSD17B10L3MBTL1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189373-B The Triazolopyridine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-06 CN disclosed
CN-103608350-B Triazolopyridine compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-25 CN disclosed
CN-102753547-B Triazolopyridine derivatives BAYER IP GMBH 2015-06-03 CN disclosed
CN-103608350-A Triazolopyridine compounds BAYER IP GMBH 2014-02-26 CN disclosed
CN-103189373-A Substituted triazolopyridines BAYER IP GMBH 2013-07-03 CN disclosed
CN-1137271-A 4-benzoylisoxazoles and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-12-04 CN disclosed