SCHEMBL9939645

SCHEMBL9939645

COC(=O)c1nc(-c2ccc(OC)cc2N)cc(N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
PKM P14618 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
NPC1 O15118 1/20 0.38
PLA2G2A P14555 3/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9939613 0.90 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9938773 0.88 CFTR (0.38) KDM4ECYP2C9PKMSCN10AADORA3
SCHEMBL2466437 0.88 ADORA3 (0.50) KDM4ECYP2D6CYP2C9HSP90AA1HSP90AB1
SCHEMBL9938790 0.87 ABL1 (0.51) KDM4EHSP90AA1HSP90AB1PKMNPC1
SCHEMBL9939346 0.86 KDM4E (0.48) KDM4EPKMNPC1NQO2ALDH1A1
SCHEMBL9939145 0.86 CYP46A1 (0.42) KDM4EPKMNQO2ALDH1A1HPGD
SCHEMBL9938104 0.85 ALPL (0.41) KDM4EPKMNPC1PLA2G2ANQO2
SCHEMBL2467009 0.85 KDM4E (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9939744 0.83 ALDH1A1 (0.43) KDM4ECYP1A2HSP90AA1HSP90AB1PKM
SCHEMBL27940922 0.83 LOXL2 (0.40) KDM4ECYP1A2PKMNQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed