SCHEMBL2188273

SCHEMBL2188273

O=C(c1csc(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KDM4C Q9H3R0 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 6/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 4/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL2188328 0.95 CHRM4 (0.51) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2186146 0.95 CHRM4 (0.51) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2186958 0.95 CHRM4 (0.58) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2187544 0.94 CHRM4 (0.50) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2186566 0.94 CHRM4 (0.53) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2187518 0.93 CHRM4 (0.50) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2186541 0.92 CHRM4 (0.48) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2187468 0.92 CHRM4 (0.48) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2186036 0.90 POLB (0.61) CHRM4ALDH1A1KDM4EKDM4CTDP1
SCHEMBL2185672 0.90 LMNA (0.53) ALDH1A1KMT2ALMNAMEN1TSHR

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