SCHEMBL4566186

SCHEMBL4566186

COc1ccc2c(c1OC)C(=O)N(Cc1cccc(CO)c1)C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
UTS2R Q9UKP6 3/20 0.48
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 1/20 0.43
CNR2 P34972 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
SCHEMBL4369233 0.87 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4231535 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4233541 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4372475 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4224830 0.86 MAPT (0.60) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4367705 0.85 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4225023 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4369260 0.80 TDP1 (0.50) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4221134 0.80 APAF1 (0.46) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4369230 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBKDM4E

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