SCHEMBL9420982

SCHEMBL9420982

O=C(C=Cc1ccc(O)cc1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
KMT2A Q03164 10/20 1.00
MEN1 O00255 9/20 1.00
TP53 P04637 8/20 1.00
ALDH1A1 P00352 6/20 1.00
CYP3A4 P08684 6/20 1.00
MAPK1 P28482 5/20 1.00
KDM4E B2RXH2 5/20 1.00
HPGD P15428 5/20 1.00
HSD17B10 Q99714 5/20 1.00
GAA P10253 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
ALOX15 P16050 1/20 1.00
NFKB1 P19838 2/20 0.74
RAB9A P51151 2/20 0.74
NFKB2 Q00653 2/20 0.74
RELA Q04206 2/20 0.74
NPC1 O15118 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
RAF1 P04049 1/20 0.74

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
SCHEMBL861729 0.86 MAPT (1.00) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL861728 0.86 MAPT (1.00) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL12162614 0.85 MAPT (1.00) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL1566918 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL9357670 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL1566916 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL16296740 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL16296742 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL6328299 0.85 MAPT (0.74) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL1320590 0.84 MAPT (0.72) MAPTKMT2AMEN1TP53ALDH1A1

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-5290951-A Anticoagulants, antiserotonine agents ELF SANOFI (FR) 1994-03-01 US disclosed
US-5166416-A Cardiovascular disorders or antagonist of HT2 receptors SOCIETE ANONYME: SANOFI (FR) 1992-11-24 US disclosed