SCHEMBL3713958

SCHEMBL3713958

CCCCOC(=O)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(NCCOC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 2/20 0.39
▸ AHR P35869 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ P2RY12 Q9H244 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ACACB O00763 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL3713386 0.89 L3MBTL1 (0.46) L3MBTL1LMNAAHRPLA2G2AMAPT
SCHEMBL3709574 0.87 ACACB (0.38) LMNAAHRTP53KMT2AMEN1
SCHEMBL3710281 0.85 GAA (0.43) L3MBTL1MAPTHPGDALDH1A1CYP1A2
SCHEMBL3713408 0.81 L3MBTL1 (0.39) L3MBTL1LMNAP2RY12MAPTKMT2A
SCHEMBL3714487 0.79 KCNH3 (0.40) L3MBTL1PLA2G2AP2RY12MAPTKMT2A
SCHEMBL3714882 0.79 L3MBTL1 (0.49) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL3715411 0.77 CYP19A1 (0.41) LMNAAHRTP53KMT2AMEN1
SCHEMBL3709987 0.77 POLB (0.45) L3MBTL1LMNATP53P2RY12MAPT
SCHEMBL3718011 0.75 FGFR4 (0.40) L3MBTL1LMNAAHRP2RY12KMT2A
SCHEMBL13187809 0.75 L3MBTL1 (0.47) L3MBTL1LMNAAHRPLA2G2ATP53

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
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