SCHEMBL3716263

SCHEMBL3716263

COC(=O)c1cc(NCCC(C)C)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
HRH4 Q9H3N8 2/20 0.40
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
SYK P43405 1/20 0.39
NQO2 P16083 5/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
IDH1 O75874 1/20 0.34
SLC26A6 Q9BXS9 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL3712550 0.83 HCAR3 (0.42) ESR1SYKNQO2IDH1
SCHEMBL30060544 0.80 NQO2 (0.40) ESR1HRH4SYKNQO2IDH1
SCHEMBL27172368 0.80 NQO2 (0.40) ESR1HRH4SYKNQO2IDH1
SCHEMBL25389725 0.80 ESR1 (0.46) ESR1SYKNQO2IDH1LMNA
SCHEMBL3715043 0.80 HRH4 (0.46) ESR1HRH4ALOX5PPARGNPSR1
SCHEMBL19072400 0.79 KMT2A (0.45) ESR1PPARGSYKNQO2IDH1
SCHEMBL27204883 0.77 MTNR1A (0.41) SYKGAA
SCHEMBL11925474 0.77 CXCR2 (0.44) ESR1SYKNQO2IDH1FPR2
SCHEMBL512745 0.76 NQO2 (0.44) SYKNQO2NPSR1LMNA
SCHEMBL30060495 0.76 NQO2 (0.38) ESR1SYKNQO2IDH1

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