SCHEMBL2597263

SCHEMBL2597263

COC(=O)c1ccc(C(F)(F)F)c(-n2ccnc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H2 P55055 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.38
RBP4 P02753 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 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
SCHEMBL30755109 0.81 KDM4E (0.46) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL2597278 0.79 CFTR (0.53) KDM4EALDH1A1MAPTMEN1HPGD
SCHEMBL31137279 0.77 ALDH1A1 (0.53) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL31500097 0.77 ALDH1A1 (0.53) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL17110622 0.77 NOTUM (0.52) NOTUMKDM4EALDH1A1HTTTLR2
SCHEMBL3528958 0.76 KDM4E (0.51) KDM4EALDH1A1ALOX15PDE4APDE4B
SCHEMBL2597282 0.75 ALDH1A1 (0.56) KDM4EALDH1A1HTTLMNAL3MBTL1
SCHEMBL1817901 0.75 NOTUM (0.50) NOTUMKDM4EALDH1A1HTTLMNA
SCHEMBL327622 0.74 PDE4A (0.54) KDM4EALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL31506537 0.73 TP53 (0.52) KDM4EALDH1A1L3MBTL1JMJD6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 WO disclosed