SCHEMBL4948035

SCHEMBL4948035

CCOC(=O)c1c(I)c2cc([N+](=O)[O-])ccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ELANE P08246 2/20 0.50
F2 P00734 1/20 0.50
PLAU P00749 1/20 0.50
CTRB1 P17538 1/20 0.50
MAPK1 P28482 1/20 0.48
PLA2G2A P14555 2/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL4946209 0.88 PLA2G2A (0.47) PLA2G2APIK3R1PIK3CA
SCHEMBL1996313 0.85 ALDH1A1 (0.52) MAPTMAPK1PLA2G2A
SCHEMBL4892207 0.77 PLA2G2A (0.58) MAPTELANEF2PLAUCTRB1
SCHEMBL4884093 0.77 AR (0.58) MAPTELANEPLA2G2A
SCHEMBL4893680 0.77 AR (0.60) MAPTELANEPLA2G2A
SCHEMBL31219110 0.75 PLA2G2A (0.52) MAPTMAPK1PLA2G2A
SCHEMBL12228538 0.75 ALDH1A1 (0.49) MAPTELANEMAPK1
SCHEMBL9400620 0.74 MAPT (0.60) MAPTELANEF2PLAUCTRB1
SCHEMBL6858317 0.73 ELANE (0.51) MAPTELANEF2PLAUCTRB1
SCHEMBL6091749 0.73 MAPT (0.47) MAPTELANEMAPK1PLA2G2A

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-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed