SCHEMBL27673306

SCHEMBL27673306

ON=C(c1ccccc1)c1conn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 2/20 0.40
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 3/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TBXA2R P21731 1/20 0.31
AGTR1 P30556 1/20 0.30

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
SCHEMBL11287397 0.77 ESR1 (0.31) HPGDALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL273196 0.71 HPGD (0.64) HPGDALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL27961040 0.71 HPGD (0.64) HPGDALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL2013760 0.69 TBXA2R (0.52) HPGDALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL2013758 0.69 TBXA2R (0.52) HPGDALDH1A1MAPTNPSR1L3MBTL1
Water SCHEMBL9518556 0.69 HPGD (0.61) HPGDALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL28341134 0.69 HPGD (0.68) HPGDALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL322444 0.68 AGTR1 (0.58) HPGDALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL11768655 0.68 AGTR1 (0.58) HPGDALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL29498791 0.68 AGTR1 (0.58) HPGDALDH1A1MAPTL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1927860-A Pyrazolecarboxamide compounds, intermediate thereof and pest control chemicals with the same as active component JIANGSU BASE NAT RES AND DEV C (CN) 2007-03-14 CN claimed
CN-100556905-C Pyrazol acid amide compounds and intermediate thereof and be the pest control agent of activeconstituents with this compounds JIANGSU BASE NAT RES AND DEV C (CN) 2009-11-04 CN disclosed
CN-1927860-A Pyrazolecarboxamide compounds, intermediate thereof and pest control chemicals with the same as active component JIANGSU BASE NAT RES AND DEV C (CN) 2007-03-14 CN disclosed