SCHEMBL9523923

SCHEMBL9523923

CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
PRKD3 O94806 2/20 0.56
PIM1 P11309 2/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
PIM3 Q86V86 2/20 0.56
IRAK1 P51617 1/20 0.56
RPS6KA3 P51812 1/20 0.56
DYRK1A Q13627 1/20 0.56
CSNK1G3 Q9Y6M4 1/20 0.56
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 8/20 0.43
HPGD P15428 7/20 0.43
HSD17B10 Q99714 7/20 0.43
PMP22 Q01453 1/20 0.42
BRD4 O60885 2/20 0.42
CYP1A2 P05177 1/20 0.42
TOP2A P11388 1/20 0.42

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
Ulifloxacin SCHEMBL1148757 0.89 LMNA (0.64) LMNAPRKD3PIM1GSK3AGSK3B
Ulifloxacin SCHEMBL29360160 0.89 LMNA (0.64) LMNAPRKD3PIM1GSK3AGSK3B
Ulifloxacin SCHEMBL1149364 0.89 LMNA (0.64) LMNAPRKD3PIM1GSK3AGSK3B
Ulifloxacin SCHEMBL1148819 0.89 LMNA (0.64) LMNAPRKD3PIM1GSK3AGSK3B
Ulifloxacin SCHEMBL1148707 0.88 LMNA (0.63) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522606 0.87 LMNA (0.51) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9522209 0.86 LMNA (0.67) LMNAPRKD3PIM1GSK3AGSK3B
Ulifloxacin SCHEMBL1149252 0.86 LMNA (0.61) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9525804 0.86 LMNA (0.58) LMNAPRKD3PIM1GSK3AGSK3B
SCHEMBL9524971 0.85 PIM1 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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