SCHEMBL4040858

SCHEMBL4040858

O=C(O)NCCc1nc(-c2ccc(-c3ccc(F)c(Cl)c3)cc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.43
SUCNR1 Q9BXA5 2/20 0.40
ABL1 P00519 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ICMT O60725 1/20 0.39
MDM2 Q00987 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 1/20 0.38
CTSA P10619 1/20 0.38
GCGR P47871 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.36
CACNA1B Q00975 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
MARS1 P56192 1/20 0.35

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
SCHEMBL4037582 0.90 KMO (0.41) KMOABL1TP53MAPT
SCHEMBL4037321 0.87 MAPT (0.43) KMOTP53MAPT
SCHEMBL4037804 0.85 HIF1A (0.43) KMOMAPT
SCHEMBL4032795 0.85 MEN1 (0.41) TP53
SCHEMBL4036969 0.84 NAMPT (0.36) TP53
SCHEMBL2340396 0.83 MEN1 (0.41) TP53
SCHEMBL4034806 0.83 THRB (0.43) KMOABL1ICMTTP53MAPT
SCHEMBL1928728 0.82 HRH4 (0.39) SUCNR1ABL1
SCHEMBL4034290 0.82 TDO2 (0.38) ABL1TP53
SCHEMBL4035021 0.82 PRKAG1 (0.40) MAPT

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 4 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