SCHEMBL9523241

SCHEMBL9523241

CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.72
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 1/20 0.56
PRKD3 O94806 1/20 0.52
PIM1 P11309 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
IRAK1 P51617 1/20 0.52
RPS6KA3 P51812 1/20 0.52
DYRK1A Q13627 1/20 0.52
PIM3 Q86V86 1/20 0.52
CSNK1G3 Q9Y6M4 1/20 0.52
DRD3 P35462 1/20 0.48
KMT2A Q03164 5/20 0.46
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9522445 0.90 LMNA (0.70) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9521788 0.90 LMNA (0.70) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL22368515 0.90 LMNA (0.69) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13772016 0.90 LMNA (0.69) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9523392 0.89 LMNA (0.68) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9522209 0.89 LMNA (0.67) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL18459742 0.89 LMNA (0.68) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9523167 0.89 LMNA (0.68) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9525851 0.89 LMNA (0.61) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL18459547 0.89 LMNA (0.65) 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