SCHEMBL2187340

SCHEMBL2187340

O=C(c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
TSHR P16473 4/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
CACNA1B Q00975 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 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
SCHEMBL2186848 0.91 TSHR (0.52) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2187357 0.89 LMNA (0.57) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2187979 0.89 MEN1 (0.55) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2188767 0.88 LMNA (0.62) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL27698600 0.87 MEN1 (0.52) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2186962 0.86 LMNA (0.56) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2186627 0.86 LMNA (0.49) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2187717 0.86 LMNA (0.53) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL13419502 0.86 MEN1 (0.52) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL2187509 0.84 LMNA (0.57) LMNATSHRMEN1KMT2AMAPK1

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