SCHEMBL8686647

SCHEMBL8686647

O=C1CSC(=O)N1Cc1cccc2c1ccn2Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.53
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
TSHR P16473 1/20 0.46
HTR6 P50406 2/20 0.44
POLB P06746 2/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP19A1 P11511 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP1 P09874 1/20 0.39
TP53 P04637 1/20 0.38
CNR2 P34972 1/20 0.38
DRD2 P14416 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
SCHEMBL8685554 0.90 PIM1 (0.50) PIM1GSK3AGSK3BTSHRHTR6
SCHEMBL8690628 0.90 PIM1 (0.52) PIM1GSK3AGSK3BTSHRHTR6
SCHEMBL8685413 0.90 GSK3A (0.49) PIM1GSK3AGSK3BTSHRHTR6
SCHEMBL8684847 0.89 PIM1 (0.51) PIM1GSK3AGSK3BHTR6ALDH1A1
SCHEMBL8686360 0.89 GSK3A (0.48) PIM1GSK3AGSK3BHTR6POLB
SCHEMBL8685098 0.89 GSK3A (0.48) PIM1GSK3AGSK3BHTR6POLB
SCHEMBL8686780 0.89 GSK3A (0.48) PIM1GSK3AGSK3BTSHRHTR6
SCHEMBL8685354 0.88 PIM1 (0.53) PIM1GSK3AGSK3BTSHRHTR6
SCHEMBL8685620 0.86 GSK3A (0.50) PIM1GSK3AGSK3BHTR6POLB
SCHEMBL8685916 0.86 PIM1 (0.56) PIM1GSK3AGSK3BTSHRHTR6

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed