SCHEMBL9110266

SCHEMBL9110266

O=C1OC(=O)c2ccc3c4c(ccc1c24)C=C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.48
▸ ALOX15 P16050 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL148025 0.84 TYMS (0.62) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL20832212 0.77 TYMS (0.37) TYMSALOX15TDP1
SCHEMBL29349446 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL15119575 0.75 TDP1 (0.65) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL13009255 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL30606666 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL31185814 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL36626 0.75 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL6388474 0.75 TYMS (0.34) TYMS
SCHEMBL9111658 0.73 TYMS (0.50) TYMSALOX15TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023054126-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN-FORMING METHOD AND ELECTRONIC DEVICE MANUFACTURING METHOD 富士フイルム株式会社 2023-04-06 — — WO disclosed
EP-0683768-A1 UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-11-29 — — EP disclosed
WO-1995008539-A1 IMPROVED METHODS FOR PREPARING BIS-IMIDE COMPOUNDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-30 — — WO disclosed
US-5359070-A ANTITUMOR AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-25 — — US disclosed
WO-1994018171-A1 UNSYMMETRICAL BIS-IMIDES AS ANTICANCER AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-08-18 — — WO disclosed
Send feedback