SCHEMBL8516263

SCHEMBL8516263

Cc1cc(C)nc(CCNc2ncnc3sccc23)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
NPC1 O15118 2/20 0.58
GALR3 O60755 1/20 0.58
NR2F2 P24468 1/20 0.58
TSHR P16473 1/20 0.49
TNF P01375 3/20 0.48
NOD1 Q9Y239 3/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46

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
SCHEMBL8483363 0.84 RAB9A (0.64) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8504041 0.81 HTT (0.74) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL9607984 0.80 RAB9A (0.47) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8506319 0.79 HTT (0.62) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8515901 0.78 HTT (0.65) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8504006 0.77 HTT (0.64) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL12960941 0.76 HTT (0.66) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL1904097 0.76 HTT (0.70) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8498537 0.75 MEN1 (0.56) HTTRAB9ASMN1; SMN2LMNANPC1
SCHEMBL8516267 0.75 HTT (0.61) HTTRAB9ASMN1; SMN2LMNANPC1

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