SCHEMBL2187496

SCHEMBL2187496

CC(=O)c1ccc(N2CCN(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.52
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 6/20 0.51
TSHR P16473 4/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.47
HPGD P15428 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
SCHEMBL2188169 0.91 LMNA (0.55) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2185882 0.91 LMNA (0.60) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2187066 0.90 LMNA (0.58) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2185460 0.90 KMT2A (0.57) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2187968 0.88 KMT2A (0.57) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL27756397 0.88 LMNA (0.55) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL27679661 0.86 ATM (0.51) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2188167 0.86 KCNA5 (0.52) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2188107 0.86 ALDH1A1 (0.57) ATMKMT2AMEN1POLBSMN1; SMN2
SCHEMBL27679664 0.85 ATM (0.49) ATMKMT2AMEN1POLBSMN1; SMN2

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