SCHEMBL4344178

SCHEMBL4344178

COS(=O)(=NC(=O)Nc1ncc(SC)s1)c1cccc(Cl)c1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.44
FFAR2 O15552 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.38
GRM4 Q14833 2/20 0.35
STAT3 P40763 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SCD O00767 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
Methane SCHEMBL4344174 0.78 FBP1 (0.69) FBP1
SCHEMBL958688 0.78 FBP1 (0.71) FBP1
SCHEMBL4344180 0.77 FBP1 (0.46) FBP1FFAR2CCNE1CDK2CDK5
Methane SCHEMBL4344184 0.77 FBP1 (0.70) FBP1
SCHEMBL4757984 0.62 CCNE1 (0.65) FFAR2CCNE1CDK2CDK5LMNA
SCHEMBL956186 0.61 FBP1 (1.00) FBP1
SCHEMBL703141 0.61 MEN1 (0.52) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL4756445 0.59 STAT3 (0.60) FFAR2CCNE1CDK2CDK5LMNA
SCHEMBL16918830 0.59 CCNE1 (0.57) CCNE1CDK2CDK5LMNAMAPT
SCHEMBL14274086 0.59 HDAC3 (0.48) FBP1LMNAMAPTMEN1KMT2A

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
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed