SCHEMBL3713865

SCHEMBL3713865

O=C(NO)c1ccnc(-c2ccc(COc3ccccc3)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.78
SMPD1 P17405 12/20 0.70
KDM1A O60341 5/20 0.60
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
BCL2L1 Q07817 1/20 0.53
MCL1 Q07820 1/20 0.53
KAT6A Q92794 1/20 0.52

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 0.95 HDAC1 (0.82) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3718643 0.88 HDAC1 (0.69) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3714667 0.85 HDAC1 (0.60) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3713063 0.85 HDAC1 (0.66) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3716612 0.84 HDAC1 (0.67) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL13188641 0.83 HDAC1 (0.69) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3711618 0.83 HDAC8 (0.63) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL3712555 0.81 HDAC1 (0.62) HDAC1MCL1
SCHEMBL3711902 0.80 HDAC1 (0.67) HDAC1SMPD1KDM1AHDAC2HDAC8
SCHEMBL13187738 0.80 HDAC1 (0.55) HDAC1KDM1AHDAC2HDAC8HDAC6

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