SCHEMBL16129581

SCHEMBL16129581

CN(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 10/20 0.59
SIRT2 Q8IXJ6 7/20 0.59
CNR1 P21554 1/20 0.56
KDM4E B2RXH2 1/20 0.53
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
UTS2R Q9UKP6 1/20 0.52
MEN1 O00255 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL12961110 0.89 HTT (0.61) CNR1KDM4EHTTPOLBMAPT
SCHEMBL9280415 0.87 CNR1 (0.60) CNR1KDM4EHTTMEN1RAB9A
SCHEMBL15605878 0.87 CNR1 (0.52) SIRT1SIRT2CNR1KDM4EHTT
SCHEMBL15344370 0.84 NAMPT (0.56) SIRT1SIRT2HTTPOLB
SCHEMBL9970321 0.84 CNR1 (0.58) CNR1KDM4EHTTMEN1RAB9A
SCHEMBL14873812 0.84 KMT2A (0.61) CNR1KDM4EHTTMEN1RAB9A
SCHEMBL14608288 0.84 HTT (0.56) CNR1KDM4EHTTPOLBMAPT
SCHEMBL16383171 0.84 HTT (0.56) CNR1HTTPOLBRAB9AKMT2A
SCHEMBL15829520 0.82 CNR1 (0.59) CNR1KDM4EHTTMEN1RAB9A
SCHEMBL15532876 0.82 CNR1 (0.63) CNR1KDM4EHTTMEN1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766474-B1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDRENS MEDICAL CENTER (US) 2020-10-07 EP disclosed
EP-2646441-B1 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS EPIZYME INC (US) 2015-12-02 EP disclosed
WO-2014153001-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2014-09-25 WO disclosed