SCHEMBL3711902

SCHEMBL3711902

O=C(NO)c1ccnc(-c2ccc(OCc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.67
KDM1A O60341 9/20 0.67
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 1/20 0.52
HDAC5 Q9UQL6 2/20 0.51
POLB P06746 1/20 0.49
ADAMTS4 O75173 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
SMPD1 P17405 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3714518 0.89 MRGPRX4 (0.55) HDAC1KDM1APOLBADAMTS4CACNA1B
SCHEMBL3715159 0.88 HDAC1 (0.65) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL13188523 0.80 HDAC1 (0.55) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL3718643 0.80 HDAC1 (0.69) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL3713865 0.80 HDAC1 (0.78) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL3713068 0.80 HDAC1 (0.82) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL13188330 0.80 HDAC1 (0.56) HDAC1KDM1A
SCHEMBL13187716 0.79 HDAC1 (0.55) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL13188804 0.78 HDAC1 (0.54) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL3713063 0.78 HDAC1 (0.66) 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