SCHEMBL2185587

SCHEMBL2185587

O=C(NC(c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)C1CCNCC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
TSHR P16473 5/20 0.46
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM5A P29375 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
NPC1 O15118 1/20 0.40
CACNA1B Q00975 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2188348 0.84 KMT2A (0.42) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188423 0.82 CSNK1E (0.56) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2189135 0.81 LMNA (0.42) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188767 0.78 LMNA (0.62) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185579 0.78 LMNA (0.48) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187340 0.78 LMNA (0.57) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187871 0.75 LMNA (0.54) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188562 0.74 LMNA (0.67) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2192333 0.74 LMNA (0.53) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187357 0.72 LMNA (0.57) LMNATSHRMEN1MAPK1KMT2A

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