SCHEMBL4036228

SCHEMBL4036228

CN(Cc1nc(-c2ccc3c(c2)Nc2ccccc2S3)c[nH]1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 9/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 2/20 0.44
CYBB P04839 1/20 0.44
APP P05067 1/20 0.44
SNCA P37840 1/20 0.44
NOX3 Q9HBY0 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MARK4 Q96L34 9/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1928811 0.86 NOX1 (0.39) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1926716 0.82 NOX1 (0.43) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1928031 0.78 NOX1 (0.45) NOX1GAAMAPTMEN1ALOX15
Hydrochloric Acid SCHEMBL1927109 0.77 NOX1 (0.44) NOX1GAAMAPTMEN1ALOX15
SCHEMBL4033771 0.74 GRM1 (0.46) NOX1GAAMAPTMEN1ALOX15
SCHEMBL20456837 0.74 RXFP1 (0.40) KMT2ALMNARAB9A
SCHEMBL1928409 0.72 MMP1 (0.41) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1927677 0.71 TP53 (0.44) NOX1GAAMAPTMEN1ALOX15
SCHEMBL1926577 0.70 CNR2 (0.44) NOX1GAAMAPTMEN1ALOX15
SCHEMBL4034451 0.70 NOX1 (0.41) NOX1GAAMAPTMEN1ALOX15

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
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
CN-1284777-C 5-membered heterocycles, preparation and use thereof as medicine SOD CONSEILS RECH APPLIC (FR) 2006-11-15 CN disclosed
CN-1535267-A 5-membered heterocycles, preparation and use thereof as medicine ��ѧ�о���Ӧ����ѯ��˾ 2004-10-06 CN 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