SCHEMBL4369470

SCHEMBL4369470

O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
RECQL P46063 4/20 0.34
KMT2A Q03164 4/20 0.34
USP2 O75604 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
MAOA P21397 2/20 0.34
APEX1 P27695 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
RAF1 P04049 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CSNK2A2 P19784 1/20 0.34
BRCA1 P38398 1/20 0.34

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
SCHEMBL4219591 0.88 MEN1 (0.39) MEN1MAPTRECQLKMT2AUSP2
SCHEMBL13952267 0.87 P2RX7 (0.39) P2RX7MEN1MAPTRECQLKMT2A
SCHEMBL4231517 0.85 MAPT (0.35) MEN1MAPTRECQLKMT2AUSP2
SCHEMBL4379360 0.83 GRM5 (0.38) MEN1MAPTRECQLKMT2AUSP2
SCHEMBL4225014 0.83 AKR1B1 (0.43) MEN1MAPTRECQLKMT2AUSP2
SCHEMBL4379298 0.82 MEN1 (0.35) MEN1MAPTRECQLKMT2AUSP2
SCHEMBL4371218 0.82 ALDH1A1 (0.45) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL4367878 0.82 GRM5 (0.43) MEN1MAPTKMT2AUSP2KDM4E
SCHEMBL4375195 0.81 MEN1 (0.40) P2RX7MEN1MAPTRECQLKMT2A
SCHEMBL4225056 0.80 MEN1 (0.40) MEN1MAPTRECQLKMT2AUSP2

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