SCHEMBL364628

SCHEMBL364628

CC(=NO)C(c1ccc(Br)cc1)(c1cc(F)cc(F)c1)c1ccnc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
CHEK1 O14757 1/20 0.30
NTRK1 P04629 1/20 0.30
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL364120 1.00 POLB (0.33) POLBCHEK1NTRK1PIM1CDK2
SCHEMBL364776 0.88 POLB (0.35) POLBCHEK1NTRK1PIM1CDK2
SCHEMBL362810 0.84 HDAC3 (0.32) POLB
SCHEMBL364526 0.84 KCNN4 (0.35) POLB
SCHEMBL363050 0.84 KCNN4 (0.35) POLB
SCHEMBL364311 0.81 POLB (0.31) POLB
SCHEMBL364096 0.80 CYP3A4 (0.35)
SCHEMBL364151 0.80 CYP3A4 (0.35)
SCHEMBL364836 0.80 POLB (0.32) POLB
SCHEMBL364539 0.80 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