SCHEMBL4034076

SCHEMBL4034076

O=C(O)NCCc1nc(-c2ccc(-c3ccccc3Br)cc2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MCL1 Q07820 1/20 0.36
GAA P10253 1/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
GOT1 P17174 1/20 0.34
CYP3A4 P08684 1/20 0.34
LTA4H P09960 1/20 0.34
PLA2G2A P14555 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2338147 0.86 LTA4H (0.42) MAPTALDH1A1MAPK1CDK4CCND1
SCHEMBL14736459 0.86 CYP3A4 (0.43) LMNAMAPTALDH1A1MAPK1GAA
SCHEMBL4041262 0.86 HIF1A (0.43) MAPTALDH1A1CDK4CCND1
SCHEMBL4036430 0.86 SCN9A (0.40) MAPTALDH1A1ABL1
SCHEMBL2347577 0.85 LMNA (0.41) LMNAMAPTMAPK1MCL1CYP3A4
SCHEMBL2342371 0.84 LMNA (0.40) LMNAMAPTMAPK1MCL1CYP3A4
SCHEMBL4033836 0.83 DHODH (0.46) LMNAMAPTALDH1A1GAACDK4
SCHEMBL4037836 0.82 DHODH (0.40) CDK4CCND1
SCHEMBL1928188 0.82 NPC1 (0.37) ALDH1A1
SCHEMBL2342304 0.81 LTA4H (0.47) MCL1LTA4HPLA2G2A

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