SCHEMBL2192333

SCHEMBL2192333

O=C(c1csc(C2CCNCC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
TSHR P16473 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2C P28335 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48

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
SCHEMBL2186962 0.90 LMNA (0.56) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2185672 0.89 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2187717 0.89 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186435 0.86 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2185664 0.86 TSHR (0.50) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186519 0.86 LMNA (0.50) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2192226 0.85 KMT2A (0.55) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186178 0.85 TSHR (0.51) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186230 0.85 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1
Benzene SCHEMBL27679651 0.85 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1

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 5 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 claimed
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
EP-1637529-A1 Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof 4SC AG (DE) 2006-03-22 EP disclosed