SCHEMBL7745867

SCHEMBL7745867

CN1CN(CCCC(=O)O)c2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ IDE P14735 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DTYMK P23919 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
SCHEMBL1822007 0.85 PAOX (0.34) MAPK1CYP1A2CYP2C19GAATDP1
SCHEMBL9116975 0.84 PAOX (0.36) MAPK1CYP1A2CYP2C19GAATDP1
SCHEMBL8952508 0.82 KDM4E (0.36) KDM4EMAPK1ALDH1A1POLBGAA
SCHEMBL8952638 0.82 KDM4E (0.36) KDM4EMAPK1ALDH1A1POLBGAA
SCHEMBL8002920 0.82 — —
SCHEMBL9392011 0.81 KMT2A (0.38) KDM4EHSD17B10MAPK1ALDH1A1CYP1A2
SCHEMBL8952262 0.80 MAPK1 (0.34) KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL8952545 0.80 EPHX2 (0.33) MAPK1ALDH1A1
SCHEMBL11294427 0.79 EPHX2 (0.38) MAPK1
SCHEMBL9419703 0.79 DAO (0.33) —

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-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 — — WO claimed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 — — WO disclosed
US-5922757-A ADMINISTERING ALPHA-TOCOPHEROL TO PATIENTS WITH HEPATITIS C WHO ARE REFRACTORY TO INTERFERON THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-13 — — US disclosed
US-5922757-A ADMINISTERING ALPHA-TOCOPHEROL TO PATIENTS WITH HEPATITIS C WHO ARE REFRACTORY TO INTERFERON THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-07-13 — — US disclosed
WO-1998014181-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-09 — — WO disclosed
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