SCHEMBL2186178

SCHEMBL2186178

O=C(c1csc(C2CCN(c3ccccn3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PHGDH O43175 2/20 0.47
POLB P06746 2/20 0.46
SCN9A Q15858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2186519 0.92 LMNA (0.50) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2186962 0.91 LMNA (0.56) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2187270 0.90 TSHR (0.48) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2185672 0.89 LMNA (0.53) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2187717 0.87 LMNA (0.53) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2186230 0.86 LMNA (0.49) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2192333 0.85 LMNA (0.53) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2187979 0.85 MEN1 (0.55) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2187384 0.85 MEN1 (0.47) TSHRMEN1LMNAKMT2AMAPK1
SCHEMBL2186958 0.84 CHRM4 (0.58) TSHRMEN1LMNAKMT2AMAPK1

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