SCHEMBL9099747

SCHEMBL9099747

CC(=O)Oc1ncc[c]c1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL9098686 0.79 ALDH1A1 (0.35) KDM4ETDP1SMN1; SMN2ALOX5
SCHEMBL4944664 0.73 KDM4E (0.39) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL4945566 0.69 KDM4E (0.54) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL3254601 0.68 SIRT6 (0.34)
SCHEMBL28007567 0.67 LMNA (0.34) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL28018125 0.67 TNFSF11 (0.38) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL27887045 0.67 LMNA (0.39) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL30748963 0.67 ALOX5 (0.35) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL27770834 0.67 SSTR4 (0.42) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2
SCHEMBL27518166 0.67 KDM4E (0.41) KDM4ECYP3A4ALOX12TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed