SCHEMBL8240403

SCHEMBL8240403

CCC(=O)c1sc2ncccc2c1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
LIMK1 P53667 1/20 0.46
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8239980 0.88 IKBKB (0.43) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4533878 0.84 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDTP53
SCHEMBL5648903 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTHPGD
SCHEMBL13605637 0.84 KDM4E (0.52) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL5516014 0.83 LIMK1 (0.66) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL13605638 0.82 TP53 (0.50) KDM4EALDH1A1MAPTTP53
SCHEMBL4528888 0.79 KDM4E (0.45) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4528867 0.76 KDM4E (0.47) KDM4EMAPTHPGDTP53THRB
SCHEMBL13605639 0.75 PADI4 (0.49) KDM4EALDH1A1MAPT
SCHEMBL4518456 0.74 MAPT (0.43) KDM4EALDH1A1IKBKBCHUKLIMK1

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
WO-2007072090-A1 THIENOPYRIDINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO disclosed