SCHEMBL2186475

SCHEMBL2186475

O=C(c1csc(C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.51
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
STAT3 P40763 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.42
PRKAA2 P54646 1/20 0.42

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
SCHEMBL2186541 0.93 CHRM4 (0.48) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2186958 0.90 CHRM4 (0.58) CHRM4CHRM2LMNAKMT2AMEN1
SCHEMBL2187518 0.88 CHRM4 (0.50) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2188273 0.88 CHRM4 (0.52) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2187381 0.88 STAT3 (0.48) CHRM4STAT3LMNAKMT2AMEN1
SCHEMBL2186146 0.87 CHRM4 (0.51) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2188328 0.87 CHRM4 (0.51) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2186627 0.87 LMNA (0.49) LMNAKMT2AMEN1TSHRMAPK1
SCHEMBL2186036 0.86 POLB (0.61) CHRM4LMNAKMT2AMEN1TSHR
SCHEMBL2187544 0.86 CHRM4 (0.50) CHRM4LMNAKMT2AMEN1TSHR

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