SCHEMBL2188348

SCHEMBL2188348

N#Cc1ccc(C(=O)NC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)C2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.37

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
SCHEMBL2185587 0.84 LMNA (0.46) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2189135 0.82 LMNA (0.42) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2211193 0.78 KMT2A (0.52) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2186478 0.78 KMT2A (0.48) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2187566 0.78 CETP (0.48) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2186435 0.76 LMNA (0.49) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2192333 0.75 LMNA (0.53) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2188107 0.73 ALDH1A1 (0.57) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2187468 0.72 CHRM4 (0.48) KMT2ALMNATSHRMEN1MAPK1
SCHEMBL2187462 0.72 KDM4E (0.50) KMT2ALMNATSHRMEN1MAPK1

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