SCHEMBL2187771

SCHEMBL2187771

O=C(c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)N1CCN(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.45
MGLL Q99685 7/20 0.45
HSD11B1 P28845 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
RBP4 P02753 1/20 0.41
LMNA P02545 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CCKAR P32238 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL2187895 0.90 CCKAR (0.41) HTR2BMGLLHSD11B1RBP4CCKAR
SCHEMBL2187003 0.84 CSNK1E (0.54) HTR2BMGLLHSD11B1TP53RBP4
SCHEMBL28768418 0.81 HSD11B1 (0.53) MGLLHSD11B1TP53MAPK8MAPK10
SCHEMBL2186848 0.81 TSHR (0.52) MGLLHSD11B1MAPTLMNA
SCHEMBL2188215 0.81 HCRTR1 (0.45) MGLLHSD11B1LMNAUBE2MDCUN1D1
SCHEMBL2187577 0.81 CSNK1E (0.47) HTR2BMGLLHSD11B1RBP4
SCHEMBL4294205 0.81 HSD11B1 (0.52) MGLLHSD11B1TP53LMNAUBE2M
SCHEMBL2187340 0.80 LMNA (0.57) HSD11B1MAPTLMNA
SCHEMBL5265670 0.80 HSD11B1 (0.43) MGLLHSD11B1MAPK8MAPK10UBE2M
SCHEMBL2188543 0.80 ALDH1A1 (0.52) MGLLHSD11B1MAPTLMNAUBE2M

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