SCHEMBL7187750

SCHEMBL7187750

O=C(O)COc1ccc(Cl)c2cccnc12.[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
HIF1A Q16665 1/20 0.63
KDM4E B2RXH2 10/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX12 P18054 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
GAA P10253 2/20 0.58
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AA1 P07900 2/20 0.54
CCR6 P51684 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.51

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
SCHEMBL137002 0.99 PKM (0.71) PKMHIF1AKDM4ECYP3A4ALOX12
SCHEMBL29490828 0.99 PKM (0.71) PKMHIF1AKDM4ECYP3A4ALOX12
Water SCHEMBL20575696 0.97 PKM (0.70) PKMHIF1AKDM4ECYP3A4ALOX12
Ammonia Solution, Strong SCHEMBL7175009 0.97 PKM (0.70) PKMHIF1AKDM4ECYP3A4ALOX12
Water SCHEMBL6469488 0.97 PKM (0.70) PKMHIF1AKDM4ECYP3A4ALOX12
Dimethylamine SCHEMBL15437599 0.93 PKM (0.77) PKMHIF1AKDM4ECYP3A4ALOX12
Dimethylamine SCHEMBL19690796 0.93 PKM (0.77) PKMHIF1AKDM4ECYP3A4ALOX12
SCHEMBL30144785 0.89 PKM (0.67) PKMHIF1AKDM4ECYP3A4ALOX12
SCHEMBL15437521 0.89 PKM (0.63) PKMHIF1AKDM4ECYP3A4ALOX12
SCHEMBL9282523 0.87 PKM (0.71) PKMHIF1AKDM4ECYP3A4ALOX12

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-1324961-C Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2007-07-11 CN disclosed
CN-1604739-A Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2005-04-06 CN disclosed
EP-1363495-A1 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2003-11-26 EP disclosed
WO-2002067682-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2002-09-06 WO disclosed