SCHEMBL9523618

SCHEMBL9523618

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.43
BRD4 O60885 1/20 0.43
HTT P42858 1/20 0.43
CYP2J2 P51589 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.40
CYP2C9 P11712 1/20 0.40
TOP2B Q02880 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL9522681 0.94 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522727 0.92 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522639 0.91 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523937 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523401 0.86 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1699575 0.85 LMNA (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10567506 0.85 MEN1 (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9525823 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9233572 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9232592 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA

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