SCHEMBL9522639

SCHEMBL9522639

CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c(F)cc3c1=O)C(c1ccc(Cl)cc1)S2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
DRD3 P35462 1/20 0.43
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL10567506 0.94 MEN1 (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523011 0.92 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523618 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523401 0.90 LMNA (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9524182 0.89 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9523937 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522285 0.85 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522681 0.85 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9525435 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9522092 0.83 PRKD3 (0.42) 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