SCHEMBL10596296

SCHEMBL10596296

O=C(CSc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 8/20 0.40
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL10416238 0.99 SLC6A3 (0.40) SLC6A3ALDH1A1TSHRTDP1POLB
SCHEMBL9765187 0.84 SLC6A3 (0.41) SLC6A3ALDH1A1TSHRTDP1POLB
SCHEMBL10414984 0.84 KMT2A (0.38) SLC6A3ALDH1A1TDP1POLBMAPT
SCHEMBL10786741 0.82 PPOX (0.38)
SCHEMBL10414982 0.81 ALDH1A1 (0.43) ALDH1A1TDP1L3MBTL1
SCHEMBL10599013 0.81 PPOX (0.34) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10416239 0.81 SLC6A3 (0.40) SLC6A3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10455217 0.81 PPOX (0.38)
SCHEMBL10414863 0.80 PPOX (0.34) ALDH1A1TSHRTDP1MAPTHTT
SCHEMBL10716545 0.74 MAPT (0.36) ALDH1A1MAPTHTTHPGDKDM4E

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-0142648-B1 2-SUBSTITUTED PHENYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE-1,3 DIONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-08 EP claimed
US-4595409-A Substituted phenyl-4,5,6,7-tetrahydro-2H-isoindole-1,3-diones, and their production and use SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1986-06-17 US claimed
EP-0142648-A1 2-Substituted phenyl-4,5,6,7-tetrahydro-2h-isoindole-1,3 diones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 EP claimed