SCHEMBL8102533

SCHEMBL8102533

CN(C)C(CN)CCC[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
APEX1 P27695 3/20 0.36
ACHE P22303 3/20 0.36
NFKB1 P19838 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PMP22 Q01453 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
DNM1 Q05193 6/20 0.31

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
SCHEMBL625595 0.80 MEN1 (0.38) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL28844291 0.78 MEN1 (0.36) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL23888758 0.75 ALDH1A1 (0.46) MEN1KMT2ATSHRDNM1
SCHEMBL15082103 0.75
SCHEMBL9016138 0.73 ALDH1A1 (0.39) TSHRDNM1
SCHEMBL10573347 0.71 OPRM1 (0.41) MEN1KMT2ALMNATSHRDNM1
SCHEMBL28309365 0.71 OPRM1 (0.41) MEN1KMT2ALMNATSHRDNM1
SCHEMBL7684766 0.71
SCHEMBL11579462 0.70 MEN1 (0.41) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL10405921 0.69

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-0989146-A1 Catalyst for production of polyurethane TOSOH CORPORATION (JP) 2000-03-29 EP disclosed