SCHEMBL4364085

SCHEMBL4364085

Cc1ccc(CN2C(=O)c3ccc(O)c(O)c3C2=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4230363 0.90 HDAC4 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4370400 0.88 HDAC4 (0.42) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4220045 0.85 MEN1 (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4225056 0.84 MEN1 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4561874 0.82 HDAC4 (0.42) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4372311 0.82 PIK3CA (0.48) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4374700 0.81 CASP3 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL13952109 0.81 HDAC4 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4366780 0.80 CA12 (0.43) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4369764 0.80 UBE2N (0.51) HDAC4HDAC1HDAC7HDAC8HDAC6

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-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO claimed
WO-2009026248-A2 HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) 2009-02-26 WO disclosed