SCHEMBL2188053

SCHEMBL2188053

COc1cc(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
LMNA P02545 5/20 0.52
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
ATM Q13315 1/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2189005 0.90 MAPT (0.58) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2187921 0.88 SMN1; SMN2 (0.52) TSHRLMNAUBE2MDCUN1D1KMT2A
SCHEMBL2187509 0.87 LMNA (0.57) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2187717 0.85 LMNA (0.53) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2185907 0.85 TSHR (0.51) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2187763 0.85 TSHR (0.51) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2187194 0.84 TSHR (0.49) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2186962 0.84 LMNA (0.56) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2188250 0.84 LMNA (0.51) TSHRLMNAKMT2APOLBMEN1
SCHEMBL2185608 0.83 KMT2A (0.52) TSHRLMNAKMT2APOLBMEN1

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