SCHEMBL4561874

SCHEMBL4561874

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CA12 O43570 4/20 0.39
CA7 P43166 1/20 0.39
MEN1 O00255 1/20 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

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
SCHEMBL4370400 0.88 HDAC4 (0.42) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4230363 0.85 HDAC4 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4372311 0.85 PIK3CA (0.48) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4364085 0.82 HDAC4 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4220045 0.82 MEN1 (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4225056 0.82 MEN1 (0.40) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4374700 0.81 CASP3 (0.52) MAPTCA1CA2CA9CA12
SCHEMBL4366780 0.80 CA12 (0.43) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4369764 0.80 UBE2N (0.51) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL4365961 0.80 KMT2A (0.47) 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 disclosed
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