SCHEMBL8489703

SCHEMBL8489703

COC(=O)c1ccc(CCNc2ncnc3sccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 5/20 0.66
HTT P42858 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 3/20 0.64
GALR3 O60755 2/20 0.64
NR2F2 P24468 2/20 0.64
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
TNF P01375 2/20 0.52
NOD1 Q9Y239 2/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
TSHR P16473 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL8506416 0.87 SMN1; SMN2 (0.66) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL5423236 0.83 RAB9A (0.73) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL9607967 0.82 NPC1 (0.60) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL3966396 0.82 HTT (0.68) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8515676 0.80 MEN1 (0.56) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8505626 0.79 HTT (0.68) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8515771 0.79 HTT (0.64) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL13242726 0.78 HTT (0.58) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL8490156 0.78 HTT (0.60) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL17456981 0.78 SMN1; SMN2 (1.00) RAB9ANPC1HTTSMN1; SMN2LMNA

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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed