SCHEMBL13188764

SCHEMBL13188764

CCCCOC(=O)c1cc(-c2ccc(-c3cccnc3)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ GPR55 Q9Y2T6 1/20 0.50
▸ MTOR P42345 3/20 0.47
▸ PIK3CA P42336 7/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PIK3CG P48736 3/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL3709987 0.90 POLB (0.45) POLBLMNAHTTHSD17B10GPR55
SCHEMBL13188314 0.80 HSD17B10 (0.57) POLBLMNAHTTHSD17B10GPR55
SCHEMBL3711572 0.78 MAPT (0.47) POLBLMNAHTTHSD17B10GPR55
SCHEMBL13187809 0.76 L3MBTL1 (0.47) LMNAHTTL3MBTL1CYP3A4CYP2D6
SCHEMBL3711476 0.76 MAPT (0.46) POLBLMNAHTTHSD17B10GPR55
SCHEMBL3710281 0.74 GAA (0.43) POLBHSD17B10PIK3CAL3MBTL1CYP3A4
SCHEMBL3713408 0.71 L3MBTL1 (0.39) POLBLMNAL3MBTL1P2RY12
SCHEMBL28161448 0.71 PIK3CA (0.67) HSD17B10MTORPIK3CACYP3A4CYP2D6
SCHEMBL30925065 0.69 ADORA1 (0.52) LMNAHSD17B10L3MBTL1CYP3A4CYP2D6
SCHEMBL29214320 0.69 ADORA1 (0.52) LMNAHSD17B10L3MBTL1CYP3A4CYP2D6

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