SCHEMBL9523657

SCHEMBL9523657

CCOC(=O)c1c2n(c3cc(N4CCN(CCO)CC4)c(F)cc3c1=O)C(C)S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 1/20 0.41
PRKD3 O94806 1/20 0.40
PIM1 P11309 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM3 Q86V86 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
DRD3 P35462 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9523070 0.93 LMNA (0.55) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9525851 0.92 LMNA (0.61) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10774170 0.92 LMNA (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522359 0.92 LMNA (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9522285 0.91 LMNA (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9523533 0.90 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9523868 0.90 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10565041 0.90 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9523090 0.89 LMNA (0.58) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9523063 0.89 LMNA (0.54) 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