SCHEMBL9404990

SCHEMBL9404990

Nc1ccc(N)c2c1SCCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
FGR P09769 1/20 0.33
PIM1 P11309 1/20 0.33
MAOA P21397 1/20 0.33
ADORA2A P29274 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
DYRK1A Q13627 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
CA2 P00918 2/20 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
SCHEMBL9404777 0.85 LMNA (0.36) THRBLMNAMAPTVHLELOC
SCHEMBL9404799 0.81 THRB (0.31) THRBLMNAMAPT
SCHEMBL7661312 0.78 HDAC1 (0.38) MAPTMAOACA2KDM4E
SCHEMBL9869188 0.78 LMNA (0.34) LMNAMAPT
SCHEMBL7653076 0.77 HDAC1 (0.38) MAPTMAOACA2KDM4E
SCHEMBL9404887 0.73 VHL (0.39) THRBLMNAMAPTVHLELOC
SCHEMBL7840446 0.72 BRD4 (0.34) VHLELOCELOBCA2KDM4E
SCHEMBL10050691 0.68 AURKA (0.37) THRBLMNAMAPTVHLELOC
SCHEMBL8346491 0.68 VHL (0.41) MAPTVHLELOCELOBADORA2A
SCHEMBL14053008 0.68 VHL (0.37) 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
WO-2023109965-A1 CAMPTOTHECIN COMPOUND AND CONJUGATE THEREOF 迈威(上海)生物科技股份有限公司 2023-06-22 WO disclosed
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