SCHEMBL4368930

SCHEMBL4368930

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
MAPK1 P28482 2/20 0.66
KMT2A Q03164 10/20 0.54
MEN1 O00255 6/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.50
RGS12 O14924 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
CASP6 P55212 1/20 0.50
EGLN1 Q9GZT9 1/20 0.48
TYR P14679 1/20 0.46
ATM Q13315 2/20 0.46
PIK3CA P42336 1/20 0.46
CACNA1G O43497 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13952392 0.86 KMT2A (0.61) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL13952387 0.85 KMT2A (0.48) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4365961 0.84 KMT2A (0.47) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4370277 0.84 KMT2A (0.47) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4369764 0.84 UBE2N (0.51) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4372330 0.84 KMT2A (0.47) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4366856 0.83 KMT2A (0.52) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4371112 0.83 APAF1 (0.50) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL4372311 0.82 PIK3CA (0.48) KDM4EMAPTMAPK1KMT2AMEN1
SCHEMBL13952263 0.81 MAPT (0.44) KDM4EMAPTMAPK1KMT2AMEN1

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