SCHEMBL2187480

SCHEMBL2187480

O=C(O)c1cccc(O)c1C(=O)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
TSHR P16473 4/20 0.48
HTT P42858 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 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
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.44
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2187979 0.90 MEN1 (0.55) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2187717 0.87 LMNA (0.53) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2187384 0.87 MEN1 (0.47) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2186962 0.86 LMNA (0.56) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2213153 0.86 LMNA (0.49) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL27698604 0.86 LMNA (0.48) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2185430 0.85 LMNA (0.50) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2213291 0.85 MAPT (0.52) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2185672 0.84 LMNA (0.53) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL2186864 0.84 LMNA (0.50) LMNATSHRHTTNPSR1ALDH1A1

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