SCHEMBL3713386

SCHEMBL3713386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PLA2G2A P14555 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37

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
SCHEMBL3713958 0.89 L3MBTL1 (0.42) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL3713408 0.85 L3MBTL1 (0.39) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL3714882 0.83 L3MBTL1 (0.49) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL3710281 0.82 GAA (0.43) L3MBTL1MAPTHPGDALDH1A1CYP1A2
SCHEMBL3715704 0.81 FFAR1 (0.40) GRM5CYP2C9CYP2C19AHRFFAR1
SCHEMBL3709987 0.80 POLB (0.45) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL13187809 0.79 L3MBTL1 (0.47) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL3711805 0.74 CYP19A1 (0.49) MAPTALDH1A1GRM5AHRCYP19A1
SCHEMBL3711329 0.74 CYP19A1 (0.41) ALDH1A1GRM5CYP2C9CYP2C19CYP19A1
SCHEMBL3709574 0.74 ACACB (0.38) LMNAKMT2AMEN1ALDH1A1CYP2C9

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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