SCHEMBL19980105

SCHEMBL19980105

CCOC(=O)c1ccc(C(F)(F)F)nc1-n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 9/20 0.39
HPGD P15428 8/20 0.39
TSHR P16473 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 7/20 0.37
GLA P06280 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 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
SCHEMBL19979917 0.82 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HSP90AA1HTTNPC1
SCHEMBL19979894 0.81 KDM4E (0.40) MAPTSMN1; SMN2KDM4EHPGDTSHR
SCHEMBL19980188 0.79 KDM4E (0.40) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1498542 0.76 KDM4E (0.50) NPC1RAB9AKDM4EHPGDTSHR
SCHEMBL31697314 0.76 KDM4E (0.50) NPC1RAB9AKDM4EHPGDTSHR
SCHEMBL23169063 0.74 MEN1 (0.49) MAPTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL28944494 0.74 KDM4E (0.48) MAPTSMN1; SMN2HSP90AA1NPC1RAB9A
SCHEMBL29827383 0.74 KDM4E (0.48) MAPTSMN1; SMN2HSP90AA1NPC1RAB9A
SCHEMBL24834467 0.74 KDM4E (0.48) MAPTKDM4ETSHRHSD17B10ALDH1A1
SCHEMBL4192553 0.74 KDM4E (0.58) MAPTNPC1RAB9AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed