SCHEMBL13670442

SCHEMBL13670442

CC1CCc2nc3sc(C#N)c(N)c3cc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.65
KDM4E B2RXH2 11/20 0.65
ALDH1A1 P00352 8/20 0.65
LMNA P02545 4/20 0.65
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 2/20 0.39
MPO P05164 1/20 0.39
EEF2K O00418 1/20 0.37

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
SCHEMBL4704685 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL29423180 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5997173 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL22690991 0.85 MAPT (0.61) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL13154843 0.81 KDM4E (0.65) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL4703109 0.79 KDM4E (0.56) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL4704433 0.78 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHSD17B10
SCHEMBL12562469 0.77 MAPT (0.55) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL12602297 0.77 RAB9A (0.66) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL4705921 0.74 LMNA (0.44) MAPTKDM4EALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608643-B2 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION (US) 2009-10-27 US disclosed