SCHEMBL3663442

SCHEMBL3663442

COc1[c]cc(C(F)(F)F)c(-c2cc(C)ccc2Br)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.31
AR P10275 2/20 0.31
HSD11B1 P28845 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
SCHEMBL4437895 0.77 L3MBTL1 (0.33) NPC1MAPTRAB9A
SCHEMBL8715944 0.76 NOTUM (0.39) MAPTNOTUM
SCHEMBL3409120 0.73 AR (0.46) MAPTHTTNPSR1AR
SCHEMBL3663441 0.73 CYP1A1 (0.32)
SCHEMBL3411200 0.71 S1PR1 (0.43) AR
SCHEMBL3669190 0.70 S100A4 (0.32)
SCHEMBL4439375 0.68 F11 (0.33) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL13407668 0.68 ALDH1A1 (0.43) MEN1NPC1RAB9AKMT2A
SCHEMBL3279036 0.68 HTR2A (0.41) MEN1MAPTHTTKMT2AAR
SCHEMBL4429904 0.68

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238133-A2 FUNGICIDAL AMIDES E. I. du Pont de Nemours and Company (US) 2010-10-13 EP disclosed
WO-2009094407-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-30 WO disclosed