SCHEMBL28064901

SCHEMBL28064901

CC(C)(C)NC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
RBP4 P02753 1/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NTRK1 P04629 1/20 0.40
HPGD P15428 1/20 0.40
SSTR4 P31391 2/20 0.40
APEX1 P27695 1/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
P2RX1 P51575 1/20 0.39
SYK P43405 1/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL3759581 0.84 POLB (0.59) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL15244373 0.83 NPC1 (0.62) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL6081356 0.82 NPC1 (0.61) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL3761522 0.81 POLB (0.57) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL29100719 0.81 NPC1 (0.57) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL29100769 0.81 NPC1 (0.57) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL30620179 0.81 NPC1 (0.57) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL30620178 0.81 NPC1 (0.57) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL7503700 0.81 NPC1 (0.59) POLBNPC1ALDH1A1MAPTDGAT2
SCHEMBL6776473 0.81 NPC1 (0.59) POLBNPC1ALDH1A1MAPTDGAT2

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
CN-105451558-A Pyrazolyl pyrrolinones and their use as herbicides SYNGENTA PARTICIPATIONS AG 2016-03-30 CN disclosed