SCHEMBL8138459

SCHEMBL8138459

CC(C)N(C=Nc1ncc(Oc2ccc(Cl)cc2)c(N2CCN(CCO)CC2)n1)C(C)C.CC(C)N(C=Nc1ncc(Oc2ccc(Cl)cc2)c(NCCOCCO)n1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CTNNB1 P35222 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 2/20 0.31
ABCB11 O95342 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 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
SCHEMBL7716641 0.90 LMNA (0.37) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7716638 0.90 LMNA (0.37) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7714694 0.89 KDM4E (0.38) KDM4ERAB9ANPC1MAPTHPGD
SCHEMBL7714697 0.89 KDM4E (0.38) KDM4ERAB9ANPC1MAPTHPGD
SCHEMBL7714168 0.78 LMNA (0.39) KDM4ERAB9ANPC1HRH4LMNA
SCHEMBL7714319 0.71 LMNA (0.41) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7716602 0.71 LMNA (0.42) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7714501 0.71 LMNA (0.46) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7716737 0.70 ALDH1A1 (0.48) KDM4ERAB9AHRH4LMNAMAPT
SCHEMBL7714708 0.70 LMNA (0.46) KDM4ERAB9AHRH4LMNAMAPT

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-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP disclosed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO disclosed