SCHEMBL9404887

SCHEMBL9404887

Nc1cccc2c1C(=O)CCS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.39
ELOC Q15369 1/20 0.39
ELOB Q15370 1/20 0.39
ADORA2A P29274 2/20 0.36
PTPRC P08575 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.32
GSK3B P49841 1/20 0.32
HSPA1A P0DMV8 1/20 0.32
PABPC1 P11940 1/20 0.32
PARP1 P09874 1/20 0.32
PTPN5 P54829 1/20 0.32
FGR P09769 1/20 0.31
PIM1 P11309 1/20 0.31
MAOA P21397 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
SCHEMBL2156971 0.81 KDM4E (0.39) VHLELOCELOBKDM4EHTT
SCHEMBL8822554 0.78 VHL (0.39) VHLELOCELOBKDM4EHTT
SCHEMBL8472833 0.78 VHL (0.46) VHLELOCELOBKDM4EHTT
SCHEMBL23861125 0.74 ALDH1A1 (0.53) VHLELOCELOBKDM4EHTT
SCHEMBL29515304 0.74 ALDH1A1 (0.53) VHLELOCELOBKDM4EHTT
SCHEMBL30880435 0.74 ALDH1A1 (0.40) VHLELOCELOBKDM4EHTT
SCHEMBL30880421 0.74 ALDH1A1 (0.40) VHLELOCELOBKDM4EHTT
SCHEMBL9404990 0.73 THRB (0.39) VHLELOCELOBADORA2AKDM4E
SCHEMBL10817355 0.72 CD44 (0.37) KDM4EALDH1A1HPGDNPSR1PARP1
SCHEMBL7417 0.68 VHL (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed