SCHEMBL4034290

SCHEMBL4034290

O=C(O)NCCc1nc(-c2ccc(-c3cc(F)ccc3F)cc2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
NAMPT P43490 5/20 0.36
ALPL P05186 1/20 0.35
TP53 P04637 1/20 0.35
ABL1 P00519 1/20 0.35
EIF4E P06730 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NOTUM Q6P988 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4036200 0.91 ALPL (0.42) TDO2CDK4CCND1NAMPTALPL
SCHEMBL2340396 0.88 MEN1 (0.41) CDK4CCND1NAMPTALPLTP53
SCHEMBL4032795 0.87 MEN1 (0.41) CDK4CCND1NAMPTALPLTP53
SCHEMBL4041262 0.86 HIF1A (0.43) CDK4CCND1
SCHEMBL4036969 0.84 NAMPT (0.36) CDK4CCND1NAMPTTP53CA2
SCHEMBL4034806 0.83 THRB (0.43) CDK4CCND1TP53ABL1LMNA
SCHEMBL1927118 0.82 TRPV1 (0.38) NAMPT
SCHEMBL4040858 0.82 KMO (0.43) TP53ABL1
SCHEMBL4037836 0.82 DHODH (0.40) CDK4CCND1EIF4E
SCHEMBL4037321 0.80 MAPT (0.43) ALPLTP53CA12CA2CA9

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