SCHEMBL3984891

SCHEMBL3984891

Cn1cccc(-c2cccc(CN3Cc4c(cccc4[N+](=O)[O-])C3=O)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.41
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.38
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL3918898 0.83 DHPS (0.43) DHPSGAAACHEALDH1A1HPGD
SCHEMBL14348206 0.79 DHPS (0.54) DHPSRECQLACHEALDH1A1HPGD
SCHEMBL3381771 0.79 DHPS (0.41) DHPSRECQLACHEALDH1A1HPGD
SCHEMBL3982508 0.74 DHPS (0.35) DHPSRECQLACHEALDH1A1HPGD
SCHEMBL30908473 0.73 IDH1 (0.48) GAAACHEHPGDMAPTKMT2A
SCHEMBL1948769 0.73 S100A4 (0.42) RECQLGAAALDH1A1HTTCA2
SCHEMBL8230630 0.72 F10 (0.63) DHPSALDH1A1HPGDMAPTKMT2A
SCHEMBL9933768 0.70 IDH1 (0.45) RECQLALDH1A1HPGDHTTMAPT
SCHEMBL8231701 0.69 HTR7 (0.41) ALDH1A1LIPGKDM4E
SCHEMBL5906644 0.69 S100A4 (0.46) RECQLGAAALDH1A1HTTCA2

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-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP claimed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO claimed
EP-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed