SCHEMBL3788730

SCHEMBL3788730

COC(=O)c1ccnc(-c2ccc(C#Cc3ccc4[nH]ccc4c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
CDK8 P49336 1/20 0.44
JMJD6 Q6NYC1 1/20 0.42
APP P05067 1/20 0.41
KDR P35968 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 2/20 0.40
GCK P35557 1/20 0.39
ATR Q13535 1/20 0.39
GFER P55789 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL1646994 0.89 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL31464238 0.89 KDM4E (0.55) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3790448 0.88 CDK8 (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3719073 0.86 HDAC6 (0.47) KDM4CAPPGFER
SCHEMBL3709493 0.81 KDM4E (0.59) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3710216 0.81 KDM4E (0.56) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3709550 0.78 KDM4E (0.52) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL3721148 0.78 KDM4E (0.52) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL20476711 0.77 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL1646106 0.77 JMJD6 (0.55) CDK8JMJD6KDR

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