SCHEMBL20043784

SCHEMBL20043784

COC(=O)/C(=C(/N)C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 2/20 0.33
ACHE P22303 2/20 0.33
CES1 P23141 2/20 0.33
GPR35 Q9HC97 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TET2 Q6N021 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7617413 0.79 MAPT (0.40) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL6646404 0.79 MAPT (0.40) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL20042555 0.77
SCHEMBL22912550 0.77 ALOX15 (0.43) ALDH1A1CES2ACHECES1GPR35
SCHEMBL3439542 0.76 ALDH1A1 (0.55) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL2957666 0.76 MAPT (0.55) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL18655713 0.74 ALDH1A1 (0.53) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL19807497 0.74 MAPT (0.48) MAPTALDH1A1MEN1XBP1KMT2A
SCHEMBL6734508 0.74 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2AF2
SCHEMBL6734509 0.74 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2AF2

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-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed