SCHEMBL364097

SCHEMBL364097

CC(=NO)C(c1ccccc1)(c1ccc(Br)cc1)c1ccnc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
POLB P06746 1/20 0.34
CHEK1 O14757 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
CSNK2A1 P68400 1/20 0.31
AR P10275 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
SCHEMBL363687 0.86 POLB (0.36) POLB
SCHEMBL363897 0.85 AR (0.36) TRPA1AR
SCHEMBL363591 0.77 UHRF1 (0.35) CHEK1NTRK1PIM1CDK2CSNK2A1
SCHEMBL364776 0.77 POLB (0.35) POLBCHEK1NTRK1PIM1CDK2
SCHEMBL363274 0.77 NPC1 (0.35) POLB
SCHEMBL365534 0.77 NPC1 (0.35) POLB
SCHEMBL364627 0.77 NPC1 (0.35) POLB
SCHEMBL364473 0.76 TRPA1 (0.34) TRPA1
SCHEMBL364539 0.75 POLB (0.32) POLB
SCHEMBL364836 0.75 POLB (0.32) POLB

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