SCHEMBL3721148

SCHEMBL3721148

COC(=O)c1ccnc(-c2ccc(C#Cc3cncnc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
KDM6B O15054 2/20 0.52
KDM5C P41229 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
KDM3A Q9Y4C1 2/20 0.52
JMJD6 Q6NYC1 1/20 0.47
ABL1 P00519 2/20 0.43
TGFBR1 P36897 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
KDM5B Q9UGL1 1/20 0.41
NEK1 Q96PY6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL3710216 0.89 KDM4E (0.56) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3714187 0.88 ALDH1A1 (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709493 0.86 KDM4E (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709550 0.83 KDM4E (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3714564 0.80 KDM4E (0.49) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27997808 0.80 KDM4E (0.69) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3716444 0.79 KDM4E (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1579012 0.79 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3719681 0.78 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3788730 0.78 KDM4E (0.46) KDM4EKDM6BKDM5CKDM4CKDM2A

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