SCHEMBL11645249

SCHEMBL11645249

CC(C)(C)c1cc(NC(=O)OCC(F)(F)F)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
MAPK14 Q16539 3/20 0.50
HPGD P15428 1/20 0.50
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
RAF1 P04049 3/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL3197830 0.86 EGFR (0.59) EGFRMAPK14HPGDCNR1CNR2
SCHEMBL11645912 0.84 EGFR (0.60) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL11648697 0.82 EGFR (0.57) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL28628201 0.82 EGFR (0.57) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL11642518 0.82 EGFR (0.57) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL11647584 0.81 EGFR (0.56) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL164064 0.81 EGFR (0.62) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL4894612 0.81 EGFR (0.62) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL16245661 0.80 EGFR (0.55) EGFRMAPK14HPGDSMN1; SMN2TDP1
SCHEMBL11641649 0.80 EGFR (0.55) EGFRMAPK14HPGDSMN1; SMN2TDP1

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
US-4116671-A HERBICIDES SHIONOGI & CO., LTD. (JP) 1978-09-26 US claimed