SCHEMBL13188314

SCHEMBL13188314

O=C(NO)c1cc(-c2ccc(-c3cccnc3)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ GPR55 Q9Y2T6 1/20 0.57
▸ MTOR P42345 4/20 0.54
▸ PIK3CA P42336 8/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PIK3CG P48736 4/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13187832 0.80 HDAC6 (0.54) LMNAHTTMTORPIK3CAHDAC6
SCHEMBL13188764 0.80 POLB (0.50) HSD17B10LMNAPOLBHTTGPR55
SCHEMBL13188236 0.78 KDM4E (0.40) HSD17B10LMNAPOLBHTTGPR55
SCHEMBL28161448 0.77 PIK3CA (0.67) HSD17B10MTORPIK3CAPIK3CGPIK3CB
SCHEMBL10327925 0.76 PIK3CA (0.54) HSD17B10LMNAPOLBHTTGPR55
SCHEMBL2369891 0.75 MTOR (0.65) MTORPIK3CAPIK3CGPIK3CBGAA
SCHEMBL13188766 0.73 ABL1 (0.52) LMNAHDAC6PIK3CGGAA
SCHEMBL1734333 0.73 HSD17B10 (1.00) HSD17B10LMNAPOLBHTTGPR55
SCHEMBL10327687 0.73 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CB
SCHEMBL13188805 0.72 CYP1A2 (0.51) HSD17B10LMNAHDAC6KDM4EALDH1A1

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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