SCHEMBL8700239

SCHEMBL8700239

ON=[C]Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.53
ACP3 P15309 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
GRIN2B Q13224 1/20 0.47
CETP P11597 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
EPHX1 P07099 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL28675483 0.78 MIF (0.44) MIFTAAR1IDO1KDM4EALDH1A1
SCHEMBL3679527 0.77 TAAR1 (0.51) MIFACP3TAAR1IDO1MEN1
SCHEMBL38024 0.77 TAAR1 (0.55) MIFACP3TAAR1IDO1MEN1
SCHEMBL3636560 0.77 MIF (0.62) MIFACP3TAAR1IDO1MEN1
SCHEMBL28669739 0.77 MIF (0.49) MIFTAAR1IDO1MEN1KMT2A
SCHEMBL1758495 0.77 TAAR1 (0.59) MIFACP3TAAR1IDO1MEN1
SCHEMBL3208460 0.77 TAAR1 (0.55) MIFACP3TAAR1IDO1MEN1
SCHEMBL30096354 0.77 TAAR1 (0.55) MIFACP3TAAR1IDO1MEN1
SCHEMBL28665834 0.74 PNMT (0.50) TAAR1IDO1GRIN2BGAA
SCHEMBL5541075 0.74 TAAR1 (0.51) MIFACP3TAAR1IDO1MEN1

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-1998004525-A1 FUNGICIDAL N-ARYL FIVE-MEMBERED CYCLIC IMIDES AGREVO UK LIMITED (GB) 1998-02-05 WO disclosed