SCHEMBL2185608

SCHEMBL2185608

CN(C)c1cccc(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CACNA1B Q00975 1/20 0.51
LMNA P02545 4/20 0.48
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.47
SYK P43405 1/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
RBP4 P02753 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
SCHEMBL2187921 0.87 SMN1; SMN2 (0.52) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2187717 0.86 LMNA (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188760 0.85 KMT2A (0.51) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2186962 0.85 LMNA (0.56) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188150 0.84 KMT2A (0.55) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2185672 0.84 LMNA (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188053 0.83 TSHR (0.52) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2186478 0.83 KMT2A (0.48) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188250 0.83 LMNA (0.51) KMT2AMEN1POLBLMNATSHR
SCHEMBL2185664 0.83 TSHR (0.50) KMT2AMEN1POLBSMN1; SMN2LMNA

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