SCHEMBL2187381

SCHEMBL2187381

O=C(c1csc(N2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.48
CHRM4 P08173 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FAAH O00519 1/20 0.45
LMNA P02545 5/20 0.45
TSHR P16473 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2187377 0.89 CHRM4 (0.55) CHRM4KDM4EPOLBALDH1A1KDM4C
SCHEMBL2186475 0.88 CHRM4 (0.51) STAT3CHRM4KDM4EPOLBALDH1A1
SCHEMBL2188167 0.87 KCNA5 (0.52) KDM4EPOLBALDH1A1LMNATSHR
SCHEMBL2185434 0.86 TSHR (0.49) KDM4EALDH1A1TDP1LMNATSHR
SCHEMBL2187072 0.85 ALDH1A1 (0.52) CHRM4KDM4EPOLBALDH1A1KDM4C
SCHEMBL2185882 0.84 LMNA (0.60) POLBALDH1A1LMNATSHRKMT2A
SCHEMBL2187462 0.83 KDM4E (0.50) STAT3CHRM4KDM4EPOLBALDH1A1
SCHEMBL2187066 0.82 LMNA (0.58) POLBALDH1A1LMNATSHRKMT2A
SCHEMBL2188767 0.81 LMNA (0.62) KDM4EPOLBALDH1A1LMNATSHR
SCHEMBL2188169 0.81 LMNA (0.55) POLBALDH1A1LMNATSHRKMT2A

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