SCHEMBL362592

SCHEMBL362592

CC(=O)C(c1ccc(Br)cc1)(c1cc(F)cc(F)c1)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 14/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL364833 0.85 KCNN4 (0.36) KCNN4NPC1RAB9AKCNE1KCNQ1
SCHEMBL362616 0.85 POLB (0.34) KCNN4
SCHEMBL364814 0.84 KCNN4 (0.43) KCNN4NPC1RAB9AKCNE1KCNQ1
SCHEMBL363771 0.83 NPC1 (0.42) NPC1RAB9AMEN1ALDH1A1MAPT
SCHEMBL13927993 0.83 KCNN4 (0.51) KCNN4NPC1RAB9AKCNE1KCNQ1
SCHEMBL364193 0.79 NPC1 (0.34) NPC1RAB9AALDH1A1MAPT
SCHEMBL363549 0.79 NPC1 (0.34) NPC1RAB9AALDH1A1MAPT
SCHEMBL363211 0.79 NPC1 (0.34) NPC1RAB9AALDH1A1MAPT
SCHEMBL14965778 0.77 RAB9A (0.37) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL14965530 0.77 RAB9A (0.37) NPC1RAB9AMEN1MAPTKMT2A

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed