SCHEMBL15829520

SCHEMBL15829520

CNCCCNC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EPHX2 P34913 2/20 0.53
NR1H4 Q96RI1 1/20 0.53
TRPV1 Q8NER1 3/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52

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
SCHEMBL9280415 0.86 CNR1 (0.60) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL14873812 0.86 KMT2A (0.61) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL15532876 0.85 CNR1 (0.63) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL9970321 0.84 CNR1 (0.58) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL23456343 0.83 MEN1 (0.74) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL14097983 0.82 CNR1 (0.56) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL16129581 0.82 SIRT1 (0.59) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL598010 0.81 CNR1 (0.66) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL30831949 0.81 CNR1 (0.67) CNR1MEN1KMT2ARAB9AHTT
SCHEMBL15750289 0.81 EPHX1 (0.59) CNR1RAB9AHTTMAPK1EPHX2

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-2646441-B1 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS EPIZYME INC (US) 2015-12-02 EP disclosed
WO-2014100662-A1 DOT1 L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. (US) 2014-06-26 WO disclosed