SCHEMBL3714564

SCHEMBL3714564

COC(=O)c1ccnc(-c2ccc(C#Cc3ccc(CN(C)C)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KDM6B O15054 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49
KDM3A Q9Y4C1 1/20 0.49
JMJD6 Q6NYC1 1/20 0.44
KDM5B Q9UGL1 2/20 0.44
FFAR1 O14842 1/20 0.43
HDAC1 Q13547 5/20 0.43
KDM1A O60341 3/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NR1H4 Q96RI1 4/20 0.41
ACACB O00763 1/20 0.41
KDM5A P29375 1/20 0.41
CHUK O15111 1/20 0.40
INSR P06213 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
SCHEMBL13187929 0.92 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3713122 0.91 KDM5B (0.45) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3721370 0.88 HDAC1 (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3721374 0.87 FFAR1 (0.48) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3710216 0.83 KDM4E (0.56) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709493 0.83 KDM4E (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3711934 0.81 ACACB (0.53) FFAR1HDAC1HDAC2NR1H4ACACB
SCHEMBL3713872 0.81 CHKA (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31211686 0.80 KDM4C (0.61) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3709550 0.80 KDM4E (0.52) 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