SCHEMBL8806771

SCHEMBL8806771

O=C(C=Cc1ccncc1)c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.76
MEN1 O00255 10/20 0.76
KMT2A Q03164 10/20 0.76
TP53 P04637 9/20 0.76
MAPK1 P28482 6/20 0.76
ALDH1A1 P00352 8/20 0.71
CYP3A4 P08684 6/20 0.71
HPGD P15428 6/20 0.71
HSD17B10 Q99714 6/20 0.71
KDM4E B2RXH2 5/20 0.71
TDP1 Q9NUW8 2/20 0.71
GAA P10253 2/20 0.71
ALOX15 P16050 1/20 0.71
NPC1 O15118 2/20 0.69
NFKB1 P19838 2/20 0.69
RAB9A P51151 2/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
RAF1 P04049 1/20 0.69

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
SCHEMBL8806767 1.00 MAPT (0.76) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL861729 0.86 MAPT (1.00) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL861728 0.86 MAPT (1.00) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL8805643 0.84 MAPT (0.68) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL8805635 0.84 MAPT (0.68) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL9420982 0.83 MAPT (1.00) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL1566918 0.82 MAPT (0.74) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL1566916 0.82 MAPT (0.74) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL16296742 0.82 MAPT (0.74) MAPTMEN1KMT2ATP53MAPK1
SCHEMBL16296740 0.82 MAPT (0.74) MAPTMEN1KMT2ATP53MAPK1

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-0476646-B1 Calcium uptake inhibitors MERRELL PHARMA INC (US) 1997-06-04 EP disclosed
US-5500429-A CARDIOVASCULAR MERRELL PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
EP-0476646-A1 Calcium uptake inhibitors MERRELL PHARMACEUTICALS INC. (US) 1992-03-25 EP disclosed