SCHEMBL3406570

SCHEMBL3406570

CCOC(=O)c1sc(N)nc1-c1cn(C)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.52
FBP1 P09467 1/20 0.49
HPGD P15428 3/20 0.49
CDC7 O00311 4/20 0.43
DBF4 Q9UBU7 4/20 0.43
MAPT P10636 4/20 0.42
CASP7 P55210 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
CASP6 P55212 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3400633 0.85 NOTUM (0.40) ALDH1A1HSD17B10HPGDCDC7DBF4
SCHEMBL3401335 0.78 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL404952 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL509072 0.77 CDC7 (0.62) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL404561 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL18236334 0.77 ALDH1A1 (0.69) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL3434666 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL3406257 0.76 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL509415 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2FBP1HPGD
SCHEMBL3406707 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2FBP1HPGD

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-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed