SCHEMBL10029646

SCHEMBL10029646

C[n+]1c(C=CC=CC=C2C=CN(CC(=O)O)c3ccccc32)sc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
RAB9A P51151 6/20 0.39
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MAPK1 P28482 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
NSD2 O96028 1/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
BLM P54132 3/20 0.39
NPC1 O15118 5/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
THRB P10828 3/20 0.38
ALOX12 P18054 2/20 0.38
CTNNB1 P35222 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL26845472 0.87 RAB9A (0.42) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL5020843 0.86 MEN1 (0.39) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845369 0.86 ADRB2 (0.36) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845474 0.84 RAB9A (0.40) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845341 0.84 RAB9A (0.44) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845339 0.83 ADRB2 (0.40) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL13602010 0.83 RAB9A (0.41) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL12733763 0.83 RAB9A (0.41) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845473 0.83 RAB9A (0.41) MAPTRAB9AHTTNPSR1MAPK1
SCHEMBL26845359 0.83 MEN1 (0.51) MAPTRAB9AHTTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8092784-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2012-01-10 US disclosed
US-20090148386-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. 2009-06-11 US disclosed
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 WO disclosed