SCHEMBL2187377

SCHEMBL2187377

O=C(c1csc(N2CCN(Cc3ccccc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
LMNA P02545 5/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
KDM4C Q9H3R0 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 4/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL2187072 0.92 ALDH1A1 (0.52) CHRM4LMNAKMT2AALDH1A1KDM4E
SCHEMBL2187066 0.91 LMNA (0.58) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL2187462 0.90 KDM4E (0.50) CHRM4LMNAKMT2AALDH1A1KDM4E
SCHEMBL2185882 0.90 LMNA (0.60) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL2187381 0.89 STAT3 (0.48) CHRM4LMNAKMT2AALDH1A1KDM4E
SCHEMBL27756397 0.88 LMNA (0.55) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL2186958 0.86 CHRM4 (0.58) CHRM4LMNAKMT2AALDH1A1KDM4E
SCHEMBL2188169 0.86 LMNA (0.55) LMNAKMT2AALDH1A1POLBTSHR
SCHEMBL2185434 0.86 TSHR (0.49) LMNAKMT2AALDH1A1KDM4ETDP1
SCHEMBL2188107 0.84 ALDH1A1 (0.57) LMNAKMT2AALDH1A1KDM4EPOLB

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 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-101405278-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-04-08 CN disclosed
CN-101233119-A Novel heterocyclic nf-kb inhibitors 4SC AG (DE) 2008-07-30 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed