SCHEMBL9522832

SCHEMBL9522832

O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(c1ccc(F)cc1)S2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
TOP2B Q02880 1/20 0.49
BRD4 O60885 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
CYP2J2 P51589 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRKD3 O94806 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL9522499 0.94 LMNA (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522396 0.90 LMNA (0.51) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522965 0.89 LMNA (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10567712 0.89 LMNA (0.55) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522681 0.87 KDM4E (0.45) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9523060 0.86 PIM1 (0.44) LMNAKDM4EALDH1A1HPGDHSD17B10
Ulifloxacin SCHEMBL29360160 0.84 LMNA (0.64) LMNAKDM4EALDH1A1HPGDHSD17B10
Ulifloxacin SCHEMBL1148819 0.84 LMNA (0.64) LMNAKDM4EALDH1A1HPGDHSD17B10
Ulifloxacin SCHEMBL1148757 0.84 LMNA (0.64) LMNAKDM4EALDH1A1HPGDHSD17B10
Ulifloxacin SCHEMBL1149364 0.84 LMNA (0.64) LMNAKDM4EALDH1A1HPGDHSD17B10

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 3 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
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed