SCHEMBL2186835

SCHEMBL2186835

COc1ccc2c(c1)C(CC(=O)N1CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC1)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
POLB P06746 2/20 0.42
LMNA P02545 6/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL2186594 0.82 TNKS (0.49) TSHRTNKSPARP1PARP10TNKS2
SCHEMBL2187921 0.82 SMN1; SMN2 (0.52) TSHRMAPTSMN1; SMN2HTTNPSR1
SCHEMBL2185907 0.81 TSHR (0.51) TSHRMAPTSMN1; SMN2HTTNPSR1
SCHEMBL2187763 0.81 TSHR (0.51) TSHRMAPTSMN1; SMN2HTTNPSR1
SCHEMBL2187684 0.80 HSD11B1 (0.48) TNKSPARP1PARP10TNKS2KDM4E
SCHEMBL2186442 0.79 LMNA (0.58) TSHRMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL2188250 0.78 LMNA (0.51) TSHRMAPTHTTNPSR1HSD17B10
SCHEMBL2187717 0.78 LMNA (0.53) TSHRMAPTSMN1; SMN2HTTNPSR1
SCHEMBL2187509 0.78 LMNA (0.57) TSHRMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL2192226 0.77 KMT2A (0.55) TSHRMAPTSMN1; SMN2HTTNPSR1

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