SCHEMBL9824869

SCHEMBL9824869

CCCCCOC(=O)C(C)Sc1cc(N=c2sc(=O)n3n2CCCC3)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PPOX P50336 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9824864 1.00 POLB (0.31) POLBGAAPKMTDP1NPSR1
SCHEMBL9824441 0.83 ALDH1A1 (0.36) POLBGAAPKMTDP1HSD17B10
SCHEMBL9824446 0.83 ALDH1A1 (0.36) POLBGAAPKMTDP1HSD17B10
SCHEMBL9824119 0.77 GAA (0.40) POLBGAATDP1KDM4EHSD17B10
SCHEMBL10482549 0.75 PPOX (0.35) POLBTDP1KDM4EPPOXMAPT
SCHEMBL9372164 0.74 CYP1A2 (0.32) GAATDP1HSD17B10
SCHEMBL9372159 0.74 CYP1A2 (0.32) GAATDP1HSD17B10
SCHEMBL9414261 0.74 TDP1 (0.34) TDP1NPSR1KDM4EHSD17B10L3MBTL1
SCHEMBL9375069 0.71 POLB (0.31) POLBGAA
SCHEMBL9764449 0.71 SMN1; SMN2 (0.33) POLBKDM4EHSD17B10PPOX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273417-B1 THIADIAZABICYCLONONANE DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-21 EP disclosed
US-4885023-A EFFECTIVE IN LOW DOSE AGAINST PADDY FIELD, UPLAND FIELD AND PERENNIAL WEEDS; NONPHYTOTOXIC KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-05 US disclosed