SCHEMBL19980188

SCHEMBL19980188

CCOC(=O)c1ccc(C(F)(F)F)nc1-n1cnc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TGFBR1 P36897 1/20 0.37
GAA P10253 1/20 0.37
FOS P01100 2/20 0.36
JUN P05412 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL19980105 0.79 MAPT (0.44) KDM4EMAPTALDH1A1TGFBR1GAA
SCHEMBL19980130 0.74 POLB (0.41) GAAPOLBTUBB4ATUBBTUBA3C
SCHEMBL19979876 0.74 TUBB4A (0.35) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1498542 0.73 KDM4E (0.50) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL31697314 0.73 KDM4E (0.50) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL23169063 0.72 MEN1 (0.49) KDM4EMAPTALDH1A1HPGDTP53
SCHEMBL28944494 0.72 KDM4E (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29827383 0.72 KDM4E (0.48) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL24834467 0.72 KDM4E (0.48) KDM4EMAPTALDH1A1HSD17B10CA12
SCHEMBL4192553 0.72 KDM4E (0.58) KDM4EMAPTALDH1A1TGFBR1JUN

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