SCHEMBL12876230

SCHEMBL12876230

CC[N+](C)(C)CCCCCN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
MCHR1 Q99705 1/20 0.43
VCAM1 P19320 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
C5AR1 P21730 1/20 0.39
AGER Q15109 1/20 0.39
BBOX1 O75936 1/20 0.38

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
SCHEMBL12875996 0.88 LMNA (0.48) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL18986533 0.85 LMNA (0.55) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL12876204 0.82 LMNA (0.50) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL14002193 0.82 MCHR1 (0.60) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL8008989 0.82 MCHR1 (0.60) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL12169294 0.79 LMNA (0.52) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL4757134 0.75 HTT (0.58) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL4758094 0.75 HTT (0.58) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL30413530 0.75 HTT (0.58) LMNASMN1; SMN2MEN1KMT2AHTT
Mecetronium SCHEMBL331122 0.75 HTT (0.58) LMNASMN1; SMN2MEN1KMT2AHTT

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-20110033203-A1 TONER, METHOD FOR MANUFACTURING THE TONER, DEVELOPER INCLUDING THE TONER, CONTAINER CONTAINING THE TONER, AND IMAGE FORMING METHOD AND APPARATUS AND PROCESS CARTRIDGE USING THE TONER WATANABE YOHICHIROH 2011-02-10 US disclosed