SCHEMBL11319607

SCHEMBL11319607

CN(C)CCN(CCO)c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
MMP14 P50281 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP8 P40818 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL1355919 0.88 KMT2A (0.35) MAPTMEN1KMT2AGAAPKM
SCHEMBL11331244 0.81 ALDH1A1 (0.38) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL3039791 0.81 KMT2A (0.41) MAPTMEN1KMT2AGAAHTT
SCHEMBL6555894 0.80 ALDH1A1 (0.37) MEN1KMT2AHTTNPC1LMNA
SCHEMBL11315339 0.79 LMNA (0.32) MAPTLMNAKDM4EALDH1A1
SCHEMBL4538810 0.77 KMT2A (0.35) MAPTMEN1KMT2AGAAPKM
SCHEMBL1353696 0.76
SCHEMBL2440172 0.76 L3MBTL1 (0.42) MAPTMEN1KMT2ANPC1POLB
SCHEMBL6553853 0.76 KMT2A (0.42) MAPTMEN1KMT2AGAAHTT
SCHEMBL523503 0.74 HRH3 (0.36) MAPTMEN1KMT2A

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-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed