SCHEMBL2188328

SCHEMBL2188328

O=C(c1csc(C2CCN(Cc3ccncc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4C Q9H3R0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 5/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 3/20 0.47
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
PHGDH O43175 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL2188273 0.95 CHRM4 (0.52) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2186958 0.94 CHRM4 (0.58) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2186146 0.92 CHRM4 (0.51) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2187518 0.92 CHRM4 (0.50) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2186036 0.91 POLB (0.61) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2187544 0.91 CHRM4 (0.50) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2186566 0.91 CHRM4 (0.53) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2187468 0.89 CHRM4 (0.48) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2186541 0.89 CHRM4 (0.48) CHRM4KDM4EALDH1A1KDM4CTDP1
SCHEMBL2187505 0.88 LMNA (0.52) CHRM4KDM4EALDH1A1KDM4CTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
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
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed