SCHEMBL364536

SCHEMBL364536

CC(=O)C(c1ccc(Br)cc1)(c1ccnc(C)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.35
NR2E1 Q9Y466 2/20 0.34
RORA P35398 1/20 0.34
PSEN1 P49768 3/20 0.34
PSEN2 P49810 3/20 0.34
APH1B Q8WW43 3/20 0.34
NCSTN Q92542 3/20 0.34
APH1A Q96BI3 3/20 0.34
PSENEN Q9NZ42 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
WNT3A P56704 3/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
KMO O15229 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
POLQ O75417 1/20 0.32
CNR2 P34972 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL363549 0.88 NPC1 (0.34) SORT1ALDH1A1WNT3ATRPV1CYP2D6
SCHEMBL364193 0.88 NPC1 (0.34) SORT1ALDH1A1WNT3ATRPV1CYP2D6
SCHEMBL363211 0.88 NPC1 (0.34) SORT1ALDH1A1WNT3ATRPV1CYP2D6
SCHEMBL364311 0.86 POLB (0.31) SORT1PSEN1PSEN2APH1BNCSTN
SCHEMBL362323 0.81 KCNN4 (0.41) SORT1ALDH1A1WNT3AKMO
SCHEMBL362720 0.80 SORT1 (0.33) SORT1ALDH1A1TSHRCYP2D6CYP1A2
SCHEMBL363181 0.79 HDAC3 (0.38) SORT1PSEN1PSEN2APH1BNCSTN
SCHEMBL362869 0.79 TRPV1 (0.38) SORT1ALDH1A1TRPV1CYP2D6CYP1A2
SCHEMBL364587 0.78 SORT1 (0.34) SORT1PSEN1PSEN2APH1BNCSTN
SCHEMBL362712 0.78 SORT1 (0.34) SORT1PSEN1PSEN2APH1BNCSTN

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