SCHEMBL4037542

SCHEMBL4037542

O=C(O)N1CCN(Cc2nc(-c3ccc4c(c3)Nc3ccccc3S4)cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
STAT1 P42224 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MARK4 Q96L34 8/20 0.38
DRD4 P21917 1/20 0.38
CYBB P04839 1/20 0.38
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
SNCA P37840 1/20 0.38
NOX3 Q9HBY0 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
SCHEMBL1929574 0.92 BAZ2A (0.47) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1928352 0.89 DRD4 (0.42) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1927065 0.87 ACKR3 (0.41) DRD4
SCHEMBL1926008 0.86 DRD4 (0.42) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1929482 0.86 ALDH1A1 (0.48) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1927926 0.86 ICAM1 (0.40) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1929691 0.85 SPHK2 (0.42) MAPK1GAAMAPTSTAT1ALDH1A1
Hydrochloric Acid SCHEMBL1927799 0.85 ALDH1A1 (0.47) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1926523 0.85 DRD4 (0.39) MAPK1GAAMAPTSTAT1ALDH1A1
SCHEMBL1926468 0.85 CTSL (0.42) MAPK1GAAMAPTSTAT1ALDH1A1

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