SCHEMBL363591

SCHEMBL363591

CC(=NO)C(c1ccccc1)(c1ccccc1)c1ccnc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
KDM4E B2RXH2 1/20 0.33
WNT3A P56704 3/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
PORCN Q9H237 1/20 0.33
PDK2 Q15119 1/20 0.32
KCNQ2 O43526 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
DYRK1A Q13627 1/20 0.31
KCNN4 O15554 1/20 0.31
CHEK1 O14757 1/20 0.31
NTRK1 P04629 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
SCHEMBL364180 0.89 GPBAR1 (0.35) UHRF1GPBAR1
SCHEMBL363109 0.84 CASR (0.34) GPBAR1DYRK1ANTRK1PIM1CDK2
SCHEMBL364200 0.83 SMN1; SMN2 (0.34) KCNN4
SCHEMBL364776 0.82 POLB (0.35) UHRF1CHEK1NTRK1PIM1CDK2
SCHEMBL364575 0.81 KCNN4 (0.40) UHRF1KDM4EWNT3APSEN1PSEN2
SCHEMBL364263 0.81 GPBAR1 (0.31) GPBAR1
SCHEMBL363805 0.81 GPBAR1 (0.31) GPBAR1
SCHEMBL3523100 0.80 KCNN4 (0.43) CYP3A4TSHRCYP2C19KCNN4
SCHEMBL3523097 0.80 KCNN4 (0.43) CYP3A4TSHRCYP2C19KCNN4
SCHEMBL364539 0.80 POLB (0.32) GPBAR1

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