SCHEMBL2186594

SCHEMBL2186594

COc1ccc2c(c1)C(CC(=O)N1CCC(c3nc(C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)cs3)CC1)CC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.49
PARP1 P09874 1/20 0.49
PARP10 Q53GL7 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
TRPC3 Q13507 1/20 0.45
TRPC6 Q9Y210 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CACNA2D1 P54289 4/20 0.42
CACNB1 Q02641 4/20 0.42
CACNA1B Q00975 3/20 0.42
CACNA1C Q13936 2/20 0.42
CACNA1G O43497 2/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2187684 0.85 HSD11B1 (0.48) TNKSPARP1PARP10TNKS2TRPC3
SCHEMBL2186835 0.82 TSHR (0.46) TNKSPARP1PARP10TNKS2TRPC3
SCHEMBL5769877 0.76 NPSR1 (0.51) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL2186561 0.75 NPSR1 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL2186974 0.73 CACNA2D1 (0.48) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL27679714 0.71 NPSR1 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL2187026 0.71 NPSR1 (0.55) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL28764306 0.70 NPSR1 (0.49) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL2186866 0.68 NR2E1 (0.47) SMN1; SMN2LMNANPSR1ALDH1A1USP2
SCHEMBL766376 0.67 TNKS (0.61) TNKSPARP1PARP10TNKS2SIGMAR1

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 2 patents. 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
EP-1637529-A1 Novel piperidin-4-yl-thiazole-carboxamide analogues as inhibitors of T-cell proliferation and uses thereof 4SC AG (DE) 2006-03-22 EP disclosed