SCHEMBL364526

SCHEMBL364526

CC(=NO)C(c1ccc(Br)cc1)(c1ccnc(C)c1)c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
POLB P06746 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL363050 1.00 KCNN4 (0.35) KCNN4POLBHDAC3HDAC1HDAC2
SCHEMBL362810 0.91 HDAC3 (0.32) POLBHDAC3HDAC1HDAC2HDAC6
SCHEMBL364740 0.90 KCNN4 (0.36) KCNN4
SCHEMBL364151 0.89 CYP3A4 (0.35) HDAC3HDAC1HDAC2HDAC6
SCHEMBL364096 0.89 CYP3A4 (0.35) HDAC3HDAC1HDAC2HDAC6
SCHEMBL362323 0.87 KCNN4 (0.41) KCNN4HDAC3HDAC1HDAC2HDAC6
SCHEMBL364628 0.84 POLB (0.33) POLB
SCHEMBL364120 0.84 POLB (0.33) POLB
SCHEMBL364311 0.81 POLB (0.31) POLB
SCHEMBL364776 0.81 POLB (0.35) 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