SCHEMBL14768504

SCHEMBL14768504

COc1c(C)ccc2cccnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.59
KDM4E B2RXH2 7/20 0.54
MAPT P10636 7/20 0.54
CCR1 P32246 4/20 0.54
CCR8 P51685 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 4/20 0.54
CCR5 P51681 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54

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
SCHEMBL25184887 0.81 LMNA (0.48) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL29953507 0.81 LMNA (0.48) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL4539236 0.80 LMNA (0.52) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL4700675 0.80 LMNA (0.52) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL10087924 0.80 LMNA (0.53) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL21657686 0.77 LMNA (0.48) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL8404537 0.76 LMNA (0.68) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL11379744 0.76 LMNA (0.61) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL30492643 0.76 LMNA (0.61) LMNAKDM4EMAPTCCR1CCR8
SCHEMBL20897727 0.75 PDE10A (0.61) LMNAKDM4EMAPTCCR1CCR8

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
WO-2018112204-A1 SPIROPIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2018-06-21 WO disclosed
WO-2013036548-A2 ZIRCONIUM CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-03-14 WO disclosed