SCHEMBL2188622

SCHEMBL2188622

O=C(Nc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cs1)c1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.53
CSNK1D P48730 1/20 0.50
CSNK1G3 Q9Y6M4 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.40
CCR1 P32246 1/20 0.40
USP2 O75604 1/20 0.39
CNR2 P34972 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
TP53 P04637 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC6 Q9Y210 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
SCHEMBL2187098 0.89 CSNK1E (0.51) CSNK1ECSNK1DCSNK1G3SMN1; SMN2HSD17B10
SCHEMBL2188423 0.87 CSNK1E (0.56) CSNK1ECSNK1DCSNK1G3HTTSMN1; SMN2
SCHEMBL2187121 0.82 CSNK1E (0.48) CSNK1ECSNK1DCSNK1G3HTTALDH1A1
SCHEMBL2187360 0.80 CSNK1E (0.49) CSNK1ECSNK1DCSNK1G3SMN1; SMN2NPC1
SCHEMBL2188562 0.79 LMNA (0.67) HTTSMN1; SMN2ALOX15HSD17B10NPC1
SCHEMBL2186169 0.78 CSNK1E (0.53) CSNK1ECSNK1DCSNK1G3HTTSMN1; SMN2
SCHEMBL2187871 0.76 LMNA (0.54) CSNK1ECSNK1DHTTSMN1; SMN2ALOX15
SCHEMBL15541991 0.75 CSNK1E (0.60) CSNK1ECSNK1DCSNK1G3HTTSMN1; SMN2
SCHEMBL420828 0.74 CSNK1E (0.59) CSNK1ECSNK1DCSNK1G3HTTSMN1; SMN2
SCHEMBL2186848 0.73 TSHR (0.52) HTTSMN1; SMN2ALOX15NPC1ALDH1A1

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
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed