SCHEMBL9521788

SCHEMBL9521788

CC(=O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
PRKD3 O94806 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51
RPS6KA3 P51812 1/20 0.51
DYRK1A Q13627 1/20 0.51
PIM3 Q86V86 1/20 0.51
CSNK1G3 Q9Y6M4 1/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 1/20 0.46
DRD3 P35462 1/20 0.42
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 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
SCHEMBL13772016 0.94 LMNA (0.69) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL18459742 0.91 LMNA (0.68) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523241 0.90 LMNA (0.72) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522445 0.89 LMNA (0.70) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523868 0.88 LMNA (0.59) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL22368515 0.88 LMNA (0.69) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9525041 0.87 LMNA (0.66) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523392 0.87 LMNA (0.68) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522209 0.87 LMNA (0.67) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9523167 0.87 LMNA (0.68) LMNAPRKD3PIM1GSK3AGSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US claimed
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed