SCHEMBL8516166

SCHEMBL8516166

c1cncc(CCNc2ncnc3sccc23)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.77
LMNA P02545 5/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
GALR3 O60755 1/20 0.57
NR2F2 P24468 1/20 0.57
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TNF P01375 2/20 0.46
NOD1 Q9Y239 2/20 0.46
MAPK1 P28482 2/20 0.45
EGFR P00533 1/20 0.45
APP P05067 1/20 0.45
GBA1 P04062 1/20 0.45
SLC29A1 Q99808 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL1904097 0.85 HTT (0.70) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8504041 0.80 HTT (0.74) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8516267 0.79 HTT (0.61) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8515901 0.79 HTT (0.65) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8506192 0.78 HTT (0.63) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL17803677 0.78 HTT (0.74) HTTLMNASMN1; SMN2RAB9AGALR3
SCHEMBL3966396 0.78 HTT (0.68) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8505626 0.78 HTT (0.68) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8490047 0.78 HTT (0.61) HTTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9607982 0.78 HTT (0.60) HTTLMNASMN1; SMN2NPC1RAB9A

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