SCHEMBL9523101

SCHEMBL9523101

O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)CS2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
HPGD P15428 5/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
TOP2A P11388 1/20 0.53
TOP2B Q02880 1/20 0.53
BRD4 O60885 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
CYP2J2 P51589 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PRKD3 O94806 1/20 0.47
PIM1 P11309 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK1 P51617 1/20 0.47
RPS6KA3 P51812 1/20 0.47

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
SCHEMBL10976616 0.90 ALDH1A1 (0.53) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9523354 0.88 PRKD3 (0.48) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9525097 0.87 PRKD3 (0.47) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9522724 0.87 LMNA (0.39) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9522977 0.87 ALDH1A1 (0.54) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9522013 0.85 ALDH1A1 (0.55) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9522474 0.85 KDM4E (0.50) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10744214 0.83 LMNA (0.52) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8323537 0.82 PIM1 (0.41) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10772867 0.82 KCNH2 (0.44) LMNAALDH1A1KDM4EHSD17B10HPGD

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