SCHEMBL19979894

SCHEMBL19979894

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.37
STING1 Q86WV6 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ACLY P53396 1/20 0.33

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 0.81 MAPT (0.44) KDM4EHSD17B10TSHRALDH1A1SMN1; SMN2
SCHEMBL19980217 0.77 GAA (0.38) KDM4EHSD17B10TSHRMAPK1ALDH1A1
SCHEMBL19980189 0.76 F9 (0.38) TAS2R14MAPTGAAHCRTR1HCRTR2
SCHEMBL19980213 0.75 POLB (0.44) KDM4EHSD17B10TSHRMAPK1ALDH1A1
SCHEMBL19980104 0.75 KDM4E (0.39) KDM4ETSHRALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1671670 0.75 HCRTR1 (0.50) TAS2R14CYP1A2CYP2C9CYP2C19HCRTR1
SCHEMBL19980223 0.75 ALDH1A1 (0.36) KDM4EHSD17B10TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL1827340 0.74 STING1 (0.43) KDM4EHSD17B10TSHRMAPK1ALDH1A1
SCHEMBL19980109 0.73 NPC1 (0.40) KDM4EHSD17B10TSHRMAPK1ALDH1A1
SCHEMBL8180740 0.73 MAPK10 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDSTING1

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