SCHEMBL8515901

SCHEMBL8515901

Cc1cccc(CCNc2ncnc3sccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.65
RAB9A P51151 4/20 0.65
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 3/20 0.65
GALR3 O60755 2/20 0.65
NR2F2 P24468 2/20 0.65
TSHR P16473 1/20 0.50
KCNK2 O95069 1/20 0.49
TNF P01375 2/20 0.49
NOD1 Q9Y239 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
EGFR P00533 1/20 0.45

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
SCHEMBL8516267 0.85 HTT (0.61) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8496629 0.85 HTT (0.71) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1904097 0.84 HTT (0.70) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8515790 0.82 LMNA (0.58) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8506195 0.82 HTT (0.58) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8506416 0.81 SMN1; SMN2 (0.66) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL13431477 0.80 SMN1; SMN2 (0.63) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8516166 0.79 HTT (0.77) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL17456981 0.79 SMN1; SMN2 (1.00) HTTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9607954 0.78 RAB9A (0.48) HTTRAB9ANPC1SMN1; 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