SCHEMBL2185907

SCHEMBL2185907

COc1ccc(N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.51
LMNA P02545 7/20 0.51
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ESR1 P03372 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 6/20 0.45
HTT P42858 4/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 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
SCHEMBL2187763 0.94 TSHR (0.51) TSHRLMNAHSD17B10KDM4EESR1
SCHEMBL2187509 0.92 LMNA (0.57) TSHRLMNAHSD17B10KDM4ESMN1; SMN2
SCHEMBL2187921 0.87 SMN1; SMN2 (0.52) TSHRLMNAHSD17B10KDM4EESR1
SCHEMBL2187194 0.86 TSHR (0.49) TSHRLMNAHSD17B10KDM4EESR1
SCHEMBL2188053 0.85 TSHR (0.52) TSHRLMNAHSD17B10SMN1; SMN2MAPT
SCHEMBL2186962 0.84 LMNA (0.56) TSHRLMNAHSD17B10SMN1; SMN2GAA
SCHEMBL2186627 0.84 LMNA (0.49) TSHRLMNAHSD17B10KDM4EESR1
SCHEMBL2185672 0.84 LMNA (0.53) TSHRLMNAHSD17B10SMN1; SMN2GAA
SCHEMBL2186442 0.84 LMNA (0.58) TSHRLMNAHSD17B10KDM4EESR1
SCHEMBL2188250 0.83 LMNA (0.51) TSHRLMNAHSD17B10GAAMAPT

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