SCHEMBL4036200

SCHEMBL4036200

O=C(O)NCCc1nc(-c2ccc(-c3ccc(F)cc3F)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.42
DHODH Q02127 2/20 0.41
NAMPT P43490 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CXCL12 P48061 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
ACMSD Q8TDX5 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
SCHEMBL4034290 0.91 TDO2 (0.38) ALPLNAMPTMEN1CA1CA2
SCHEMBL2340396 0.88 MEN1 (0.41) ALPLNAMPTKDM4EMEN1CA2
SCHEMBL4032795 0.87 MEN1 (0.41) ALPLNAMPTKDM4EMEN1CA2
SCHEMBL4041262 0.86 HIF1A (0.43) DHODHALDH1A1DHFRHIF1ACDK4
SCHEMBL4036969 0.84 NAMPT (0.36) NAMPTKDM4EMEN1CA2LMNA
SCHEMBL4034806 0.83 THRB (0.43) DHODHLMNAKMOCDK4CCND1
SCHEMBL1927555 0.82 NPC1 (0.38) ALPLNAMPTNPC1RAB9AMAPT
SCHEMBL4037836 0.82 DHODH (0.40) DHODHHIF1ACDK4CCND1PRKAA1
SCHEMBL4040858 0.80 KMO (0.43) GCGRKMOMAPTTP53
SCHEMBL2338147 0.80 LTA4H (0.42) ALDH1A1HIF1ACDK4CCND1MAPT

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