SCHEMBL890355

SCHEMBL890355

CSc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 6/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
TRPA1 O75762 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL1548295 1.00 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL1514547 0.81 MAPT (0.61) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL1514546 0.81 MAPT (0.61) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL12307304 0.81 MAPT (0.49) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL6033210 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL20547552 0.80 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL21024214 0.79 ALDH1A1 (0.92) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL2239365 0.79 ALDH1A1 (0.92) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL21023910 0.79 ALDH1A1 (0.92) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL90893 0.79 ALDH1A1 (0.92) ALDH1A1KMT2AMAPTMEN1MAPK1

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-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed