SCHEMBL9939346

SCHEMBL9939346

COC(=O)c1ccc(-c2cc(N)c(Cl)c(C(=O)OC)n2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
HPGD P15428 7/20 0.48
HSD17B10 Q99714 3/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
USP2 O75604 1/20 0.42
KMT2A Q03164 2/20 0.40
ALOX15 P16050 2/20 0.40
PKM P14618 2/20 0.40

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
SCHEMBL9938790 0.88 ABL1 (0.51) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL9939145 0.87 CYP46A1 (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9938104 0.86 ALPL (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9939645 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9939744 0.84 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27940922 0.84 LOXL2 (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16046908 0.83 NQO2 (0.39) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16047255 0.83 ALPL (0.54) KDM4EALDH1A1MAPTGAANPSR1
SCHEMBL9938918 0.83 TDP1 (0.43) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL9939181 0.83 NCEH1 (0.37) KDM4EALDH1A1MAPTHPGDCASP1

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