SCHEMBL3713397

SCHEMBL3713397

COC(=O)c1ccnc(-c2cnccc2C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
KDM6B O15054 2/20 0.58
KDM5C P41229 2/20 0.58
KDM4C Q9H3R0 2/20 0.58
KDM2A Q9Y2K7 2/20 0.58
KDM3A Q9Y4C1 2/20 0.58
JMJD6 Q6NYC1 1/20 0.52
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
KDM5B Q9UGL1 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.45
RAB9A P51151 2/20 0.44
CYP11B2 P19099 2/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL70279 0.80 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29894587 0.80 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
Hydrochloric Acid SCHEMBL6504834 0.78 KDM4E (0.83) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL6514670 0.78 KDM4E (0.83) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1579012 0.78 KDM4E (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3713394 0.77 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30151105 0.77 ABL1 (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL111465 0.76 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29469477 0.76 ALDH1A1 (0.51) KDM4EKDM4CALDH1A1GLAGAA
SCHEMBL3716444 0.75 KDM4E (0.63) 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 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