SCHEMBL4034798

SCHEMBL4034798

O=C(O)NCCc1nc(-c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.42
GRK6 P43250 1/20 0.42
VCP P55072 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.41
TOP1 P11387 1/20 0.41
IDO1 P14902 1/20 0.40
CSNK2A1 P68400 1/20 0.40
EIF4A1 P60842 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4034795 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1TDP1GRK6
SCHEMBL5803640 0.88 MAPT (0.44) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4702325 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1TDP1GRK6
SCHEMBL4702320 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1TDP1GRK6
SCHEMBL2338147 0.84 LTA4H (0.42) MAPTALDH1A1MAPK1
SCHEMBL1927374 0.83 LMNA (0.45) SMN1; SMN2MAPTALDH1A1TDP1MEN1
SCHEMBL4037804 0.83 HIF1A (0.43) MAPTVCPMMP2MMP9MMP8
SCHEMBL4034806 0.83 THRB (0.43) MAPTGRK6VCPTHRBLMNA
SCHEMBL14736459 0.82 CYP3A4 (0.43) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4034934 0.80 MAPT (0.48) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP claimed
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 WO disclosed