SCHEMBL4037804

SCHEMBL4037804

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
NAMPT P43490 1/20 0.41
GRM5 P41594 1/20 0.41
MCHR1 Q99705 1/20 0.41
CNR2 P34972 1/20 0.40
MAPT P10636 3/20 0.40
KMO O15229 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PIN1 Q13526 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
VCP P55072 1/20 0.39
TYMP P19971 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL4037321 0.88 MAPT (0.43) MCHR1MAPTKMO
SCHEMBL2338147 0.88 LTA4H (0.42) HIF1AMAPT
SCHEMBL4034806 0.86 THRB (0.43) MAPTKMOEGLN1VCPHCAR2
SCHEMBL4037582 0.86 KMO (0.41) MAPTKMO
SCHEMBL4040858 0.85 KMO (0.43) MAPTKMO
SCHEMBL14736459 0.85 CYP3A4 (0.43) HIF1ANAMPTMAPT
SCHEMBL4034934 0.84 MAPT (0.48) NAMPTMAPTPIN1ADORA1
SCHEMBL4035021 0.83 PRKAG1 (0.40) HIF1AMAPT
SCHEMBL4034798 0.83 SMN1; SMN2 (0.45) MAPTMMP2MMP9MMP8VCP
SCHEMBL4034795 0.83 SMN1; SMN2 (0.45) MAPTMMP2MMP9MMP8VCP

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 6 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-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 claimed
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 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