SCHEMBL6905652

SCHEMBL6905652

O=P(CNS(=O)(=O)c1ccccn1)(Oc1cccnc1Cl)Oc1cccnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KAT6A Q92794 1/20 0.39
GLO1 Q04760 8/20 0.37
SLC40A1 Q9NP59 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
EGFR P00533 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 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
SCHEMBL4424427 0.88 L3MBTL1 (0.44) L3MBTL1KAT6AGLO1SLC40A1KDM4E
SCHEMBL6908900 0.81 CYP2D6 (0.46) GLO1KDM4EPKMALDH1A1TP53
SCHEMBL4427092 0.73 L3MBTL1 (0.58) L3MBTL1KAT6AGLO1SLC40A1KDM4E
SCHEMBL4422634 0.71 CYP2D6 (0.43) GLO1KDM4EPKMALDH1A1TP53
SCHEMBL4425842 0.71 MEN1 (0.51) KDM4EEGFRMEN1KMT2AGAA
SCHEMBL4421984 0.71 EGFR (0.53) L3MBTL1GLO1PKMEGFRALDH1A1
SCHEMBL6526208 0.71 CYP2D6 (0.42) GLO1KDM4EPKMALDH1A1TP53
SCHEMBL4421005 0.68 EGFR (0.35) EGFRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4425255 0.68 EGFR (0.35) EGFRGAA
SCHEMBL4433510 0.68 TSHR (0.47) SLC40A1ALDH1A1MEN1KMT2ASMN1; SMN2

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-2004048393-A2 NOVEL INHIBITORS OF β-LACTAMASE METHYLGENE, INC. (CA) 2004-06-10 WO disclosed