SCHEMBL4197405

SCHEMBL4197405

N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.O=C(NCc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD4 P21917 5/20 0.48
DRD3 P35462 4/20 0.48
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
AR P10275 3/20 0.46
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
PTPN11 Q06124 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3479967 0.90 MAPK9 (0.51) MAPK9MAPK10ARBCL2BCL2L1
SCHEMBL3479929 0.89 DRD2 (0.60) DRD2DRD4DRD3MAPK9MAPK10
SCHEMBL6021928 0.83 MAPT (0.43) MAPK9MAPK10BCL2BCL2L1LMNA
SCHEMBL7440295 0.82 DRD2 (0.54) DRD2DRD4DRD3MAPK9MAPK10
SCHEMBL7896124 0.82 MAPK9 (0.52) DRD2DRD4DRD3MAPK9MAPK10
SCHEMBL2421411 0.81 MAPK9 (0.53) MAPK9MAPK10BCL2BCL2L1MEN1
SCHEMBL2421831 0.81 MAPK9 (0.55) MAPK9MAPK10BCL2BCL2L1MEN1
SCHEMBL2428656 0.80 MAPT (0.57) DRD2DRD3MAPK9MAPK10BCL2
SCHEMBL2423054 0.80 MAPK9 (0.59) MAPK9MAPK10BCL2BCL2L1MEN1
SCHEMBL7896125 0.80 MAPK9 (0.53) DRD2DRD4DRD3MAPK9MAPK10

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed