SCHEMBL20100523

SCHEMBL20100523

Cc1cc(N(CCO)CCO)ccc1C(c1ccc(Nc2ccccc2)cc1)c1ccc(N(CCO)CCO)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
GAA P10253 3/20 0.59
PKM P14618 1/20 0.59
HTT P42858 1/20 0.59
MCL1 Q07820 1/20 0.59
KMT2A Q03164 6/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP14 P50281 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL12371968 0.86 MAPT (0.49) MAPTGAAPKMHTTMCL1
SCHEMBL7650155 0.82 MAPT (0.61) MAPTGAAPKMHTTMCL1
SCHEMBL12399558 0.81 MAPT (0.44) MAPTGAAPKMHTTMCL1
SCHEMBL2759043 0.81 KMT2A (0.75) MAPTGAAPKMHTTMCL1
SCHEMBL13576324 0.81 MAPT (0.51) MAPTGAAPKMHTTMCL1
SCHEMBL12342187 0.80 MAPT (0.58) MAPTGAAPKMHTTMCL1
SCHEMBL14401486 0.79 MAPT (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL5009578 0.78 MAPT (0.59) MAPTGAAPKMHTTMCL1
SCHEMBL12342190 0.78 MAPT (0.55) MAPTGAAPKMHTTMCL1
SCHEMBL11682442 0.77 ALDH1A1 (0.50) MAPTGAAHTTKMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119059-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2018-05-03 US disclosed
US-20180118945-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed