SCHEMBL4779669

SCHEMBL4779669

NNc1ncnc2ccc(-c3ccc(N4CCN(S(=O)(=O)c5ccc(Cl)cc5)CC4)nc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CNR1 P21554 9/20 0.46
CNR2 P34972 7/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
GBA1 P04062 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4367570 0.88 L3MBTL1 (0.46) L3MBTL1LMNAKDM4EHSD17B10MEN1
SCHEMBL4353089 0.85 CNR1 (0.43) L3MBTL1CNR1CNR2LMNATSHR
SCHEMBL4358480 0.81 L3MBTL1 (0.45) L3MBTL1CNR1LMNAKDM4EHSD17B10
SCHEMBL4366103 0.78 CNR1 (0.46) L3MBTL1CNR1CNR2LMNAKDM4E
SCHEMBL4355355 0.76 GBA1 (0.47) L3MBTL1LMNAMEN1KMT2ATSHR
SCHEMBL4351924 0.74 RAF1 (0.56) L3MBTL1LMNAKDM4EMEN1KMT2A
SCHEMBL4355357 0.74 GBA1 (0.45) L3MBTL1LMNAKDM4EHSD17B10MEN1
SCHEMBL5335588 0.67 L3MBTL1 (0.91) L3MBTL1LMNAKDM4EHSD17B10MEN1
SCHEMBL4095539 0.67 KMT2A (0.47) L3MBTL1LMNAKDM4EHSD17B10MEN1
SCHEMBL4737806 0.67 EGFR (0.54) KDM4EMEN1KMT2AHTTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed