SCHEMBL2185569

SCHEMBL2185569

COc1cc(N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)nc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
LMNA P02545 6/20 0.47
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
PHGDH O43175 1/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
POLB P06746 3/20 0.43
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2187194 0.89 TSHR (0.49) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2186962 0.84 LMNA (0.56) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2186519 0.84 LMNA (0.50) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2185672 0.84 LMNA (0.53) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2187509 0.84 LMNA (0.57) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2186178 0.83 TSHR (0.51) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2187921 0.82 SMN1; SMN2 (0.52) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2187717 0.82 LMNA (0.53) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2187270 0.82 TSHR (0.48) TSHRLMNAHSD17B10KMT2AMEN1
SCHEMBL2185907 0.82 TSHR (0.51) TSHRLMNAHSD17B10KMT2AMEN1

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