SCHEMBL3715008

SCHEMBL3715008

COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)cc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
AXL P30530 2/20 0.47
NR4A2 P43354 5/20 0.46
PLA2G2A P14555 1/20 0.46
KDM4E B2RXH2 4/20 0.46
DHODH Q02127 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3709521 0.84 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2AXLNR4A2
SCHEMBL3714670 0.83 KDM4E (0.45) CYP19A1KDM4EDHODHGAAHTT
SCHEMBL13659554 0.81 KDM4E (0.67) KDM4EALDH1A1GLAGAAHTT
SCHEMBL29715210 0.76 MAPK8 (0.53) KDM4EALDH1A1GLAGAAHTT
SCHEMBL21801215 0.76 MAPK8 (0.53) KDM4EALDH1A1GLAGAAHTT
SCHEMBL30694782 0.74 ALDH1A1 (0.54) AXLNR4A2KDM4EALDH1A1GLA
SCHEMBL28135495 0.74 MAPK8 (0.49) NR4A2KDM4EALDH1A1GLAGAA
SCHEMBL31547769 0.73 SMN1; SMN2 (0.54) CYP19A1CYP11B1CYP11B2KDM4EDHODH
SCHEMBL3515844 0.73 NR4A2 (0.57) CYP19A1CYP11B1CYP11B2NR4A2ALDH1A1
SCHEMBL16131073 0.73 KDM4E (0.55) AXLNR4A2PLA2G2AKDM4EDHODH

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