SCHEMBL3718643

SCHEMBL3718643

O=C(NO)c1ccnc(-c2ccc(OCc3ccncc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.69
KDM1A O60341 8/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
SMPD1 P17405 8/20 0.55

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
SCHEMBL3713068 0.90 HDAC1 (0.82) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3713865 0.88 HDAC1 (0.78) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3716612 0.86 HDAC1 (0.67) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3721428 0.85 KDM4E (0.52) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3713063 0.85 HDAC1 (0.66) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL13188641 0.83 HDAC1 (0.69) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3717288 0.83 HDAC1 (0.65) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL24263629 0.81 HDAC1 (0.51) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3711902 0.80 HDAC1 (0.67) HDAC1KDM1AHDAC6HDAC2HDAC8
SCHEMBL3712555 0.76 HDAC1 (0.62) HDAC1

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