SCHEMBL2188593

SCHEMBL2188593

O=C(c1csc(C2CCN(c3ccc4c(c3)OCCO4)CC2)n1)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.43
LMNA P02545 5/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCKAR P32238 1/20 0.38
PRKDC P78527 1/20 0.38
CCR2 P41597 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL27698610 0.92 LMNA (0.48) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2186156 0.87 LMNA (0.54) SCD5LMNATSHRMAPK1MEN1
SCHEMBL2186823 0.84 ADORA2A (0.46) SCD5LMNATSHRMAPK1MEN1
SCHEMBL2186921 0.83 MAPT (0.62) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2185672 0.81 LMNA (0.53) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2186962 0.80 LMNA (0.56) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2187717 0.79 LMNA (0.53) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2187979 0.77 MEN1 (0.55) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2187829 0.77 POLB (0.48) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL2186899 0.77 ATM (0.48) LMNATSHRMAPK1MEN1KMT2A

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