SCHEMBL4032795

SCHEMBL4032795

O=C(O)NCCc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
NAMPT P43490 4/20 0.40
TP53 P04637 2/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2340396 0.99 MEN1 (0.41) MEN1KMT2ACDK4CCND1NAMPT
SCHEMBL4036969 0.91 NAMPT (0.36) MEN1KMT2ACDK4CCND1NAMPT
SCHEMBL2338147 0.89 LTA4H (0.42) CDK4CCND1TP53MAPK1HDAC3
SCHEMBL4034806 0.88 THRB (0.43) CDK4CCND1TP53LMNA
SCHEMBL4033995 0.88 TP53 (0.42) CDK4CCND1TP53CA2CA9
SCHEMBL4034290 0.87 TDO2 (0.38) MEN1KMT2ACDK4CCND1NAMPT
SCHEMBL4036200 0.87 ALPL (0.42) MEN1KMT2ACDK4CCND1NAMPT
SCHEMBL2342371 0.87 LMNA (0.40) CA2LMNAKDM4EMAPK1HDAC3
SCHEMBL4037321 0.87 MAPT (0.43) MEN1KMT2ATP53CA2CA9
SCHEMBL14736459 0.86 CYP3A4 (0.43) MEN1KMT2ACDK4CCND1NAMPT

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