SCHEMBL9525435

SCHEMBL9525435

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9231555 0.94 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9232091 0.94 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9229211 0.91 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9522285 0.90 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9521872 0.89 LMNA (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9229755 0.88 LMNA (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9233955 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9228616 0.86 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9233927 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9523011 0.85 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10GAA

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