SCHEMBL364047

SCHEMBL364047

C/C(=N/O)C(c1ccccc1)(c1ccccc1)c1cc(C)nc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.31
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
NR1I2 O75469 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL364200 0.90 SMN1; SMN2 (0.34) KCNN4EDNRBEDNRANR1I2KCNE1
SCHEMBL364425 0.81 POLB (0.31) POLB
SCHEMBL3523097 0.78 KCNN4 (0.43) KCNN4ALDH1A1
SCHEMBL3523100 0.78 KCNN4 (0.43) KCNN4ALDH1A1
SCHEMBL363591 0.77 UHRF1 (0.35) KCNN4
SCHEMBL365534 0.76 NPC1 (0.35) KCNN4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL363274 0.76 NPC1 (0.35) KCNN4POLBSMN1; SMN2NPC1RAB9A
SCHEMBL363076 0.74 EDNRB (0.30) EDNRBEDNRA
SCHEMBL365351 0.72 CYP19A1 (0.31) KCNN4
SCHEMBL363687 0.69 POLB (0.36) POLBSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
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