SCHEMBL3713872

SCHEMBL3713872

COC(=O)c1ccnc(-c2ccc(C#Cc3ccc(CN4CCCC4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.50
HDAC1 Q13547 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM6B O15054 1/20 0.48
KDM5C P41229 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM2A Q9Y2K7 1/20 0.48
KDM3A Q9Y4C1 1/20 0.48
WNK1 Q9H4A3 1/20 0.47
ACACB O00763 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
CHRM1 P11229 1/20 0.44
MCHR1 Q99705 1/20 0.44
KDM5B Q9UGL1 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3710215 0.99 CHKA (0.49) CHKAHDAC1KDM4EKDM6BKDM5C
SCHEMBL3715041 0.91 HDAC1 (0.52) HDAC1KDM4EKDM6BKDM5CKDM4C
SCHEMBL13187716 0.86 HDAC1 (0.55) HDAC1ACACBHDAC3HDAC2HDAC6
SCHEMBL3715176 0.86 HDAC1 (0.49) HDAC1WNK1
SCHEMBL13188804 0.85 HDAC1 (0.54) HDAC1CHRM1MCHR1HDAC3HDAC2
SCHEMBL13188330 0.83 HDAC1 (0.56) CHKAHDAC1KDM4EKDM6BKDM5C
SCHEMBL3714455 0.83 MRGPRX4 (0.47) HDAC1WNK1ACACBKDM5BHRH3
SCHEMBL3713492 0.81 HDAC1 (0.52) HDAC1KDM4EKDM6BKDM5CKDM4C
SCHEMBL3714564 0.81 KDM4E (0.49) HDAC1KDM4EKDM6BKDM5CKDM4C
SCHEMBL3714518 0.80 MRGPRX4 (0.55) HDAC1WNK1HRH3SMN1; SMN2ALDH1A1

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