SCHEMBL9864191

SCHEMBL9864191

O=C1CCSc2occc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.34
PTPRC P08575 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
SCHEMBL9865613 0.89 ALDH1A1 (0.34) VHLELOCELOBALDH1A1
SCHEMBL14591138 0.70
SCHEMBL9865054 0.69 ALDH1A1 (0.32) HTTALDH1A1
SCHEMBL10514566 0.68 VHL (0.41) VHLELOCELOBKDM4EHTT
SCHEMBL333300 0.63 MAPT (0.42) KDM4EALDH1A1
SCHEMBL3129135 0.63 HSD17B10 (0.39) KDM4EALDH1A1PTPRC
SCHEMBL29414923 0.63 VHL (0.56) VHLELOCELOBKDM4EHTT
SCHEMBL7417 0.63 VHL (0.56) VHLELOCELOBKDM4EHTT
SCHEMBL566902 0.62 TDP2 (0.39) VHLELOCELOBKDM4EHTT
SCHEMBL566998 0.61 MAPK1 (0.43) VHLELOCELOBKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045561-A Substituted furan sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1991-09-03 US disclosed