SCHEMBL3843346

SCHEMBL3843346

CC(=O)CC=C(c1ccc(B(O)O)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B3 P37058 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL9750091 0.76 ALDH1A1 (0.50) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL9369 0.75 ALDH1A1 (0.58) MAPTHPGDALDH1A1MAPK1TDP1
SCHEMBL4897408 0.73 ALDH1A1 (0.52) MAPTHPGDALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL18641492 0.73 TSHR (0.55) MAPTHPGDALDH1A1MAPK1TDP1
SCHEMBL1932038 0.71 TLR9 (0.71) MAPTALDH1A1RAB9ANPC1HSD17B3
SCHEMBL10082293 0.71 TLR9 (0.71) MAPTALDH1A1RAB9ANPC1HSD17B3
SCHEMBL9839598 0.70 ALDH1A1 (0.42) MAPTHPGDALDH1A1RAB9ANPC1
SCHEMBL1507037 0.69 ALDH1A1 (0.50) MAPTHPGDALDH1A1MAPK1TDP1
SCHEMBL9750077 0.69 MAPT (0.53) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL75061 0.69 APP (0.62) MAPTALDH1A1RAB9ANPC1KDM4E

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
EP-1644330-A4 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND BIOTECH INST (US) 2009-06-03 EP disclosed
EP-1644330-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2006-04-12 EP disclosed
WO-2005000109-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2005-01-06 WO disclosed