SCHEMBL371147

SCHEMBL371147

CC(=O)C(c1ccc(C)cc1)(c1cccc(Br)c1)c1ccnc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.33
UHRF1 Q96T88 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR1 P32246 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
GRM5 P41594 1/20 0.32
CA1 P00915 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
SCHEMBL362720 0.83 SORT1 (0.33) SORT1SMN1; SMN2KMT2ANPSR1TSHR
SCHEMBL364575 0.82 KCNN4 (0.40) SORT1NPSR1UHRF1MAPK1KDM4E
SCHEMBL364536 0.77 SORT1 (0.35) SORT1TSHRALDH1A1
SCHEMBL363549 0.77 NPC1 (0.34) SORT1SMN1; SMN2NPSR1ALDH1A1MAPK1
SCHEMBL364193 0.77 NPC1 (0.34) SORT1SMN1; SMN2NPSR1ALDH1A1MAPK1
SCHEMBL362869 0.77 TRPV1 (0.38) SORT1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL363211 0.77 NPC1 (0.34) SORT1SMN1; SMN2NPSR1ALDH1A1MAPK1
SCHEMBL364776 0.74 POLB (0.35) SORT1MEN1KMT2AALDH1A1UHRF1
SCHEMBL363061 0.73 KCNN4 (0.34) SORT1NPSR1MAPK1KDM4E
SCHEMBL363897 0.72 AR (0.36) SMN1; SMN2MEN1KMT2ANPSR1MAOB

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