SCHEMBL4180620

SCHEMBL4180620

NC(=O)c1ccccc1CCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIRT2 Q8IXJ6 8/20 0.52
CTNNB1 P35222 1/20 0.49
PKM P14618 1/20 0.46
THRB P10828 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL28937519 0.83 ALDH1A1 (0.45) PARP10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3353599 0.83 KDM4E (0.55) PARP10MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4735612 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL364447 0.79 TSHR (0.53) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL10354803 0.78 ALDH1A1 (0.58) PARP10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5388555 0.78 ALDH1A1 (0.75) PARP10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2452570 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL5682890 0.78 KMT2A (0.45) PARP10ALDH1A1MEN1KMT2ANPC1
SCHEMBL17530464 0.78 ALDH1A1 (0.59) PARP10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3680999 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ENPC1

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-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed