SCHEMBL4230145

SCHEMBL4230145

O=C(NNC(=O)c1cccc(O)c1O)c1cc2ccccc2cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.63
MEN1 O00255 10/20 0.63
MAPT P10636 4/20 0.63
GAA P10253 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
MITF O75030 1/20 0.63
NCOA1 Q15788 1/20 0.63
NCOA3 Q9Y6Q9 1/20 0.63
POLB P06746 6/20 0.60
KDM4E B2RXH2 3/20 0.59
MAPK1 P28482 2/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
ALPL P05186 1/20 0.55
ALPI P09923 1/20 0.55
ALPG P10696 1/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL13345883 0.88 KMT2A (0.65) KMT2AMEN1MAPTGAATDP1
SCHEMBL13345885 0.88 KMT2A (0.73) KMT2AMEN1MAPTGAATDP1
SCHEMBL4229962 0.84 TERT (0.63) KMT2AMEN1MAPTGAATDP1
SCHEMBL4232845 0.83 KMT2A (0.67) KMT2AMEN1MAPTGAATDP1
SCHEMBL4218154 0.83 CA1 (0.65) KMT2AMEN1GAAKDM4ENPC1
SCHEMBL6636734 0.80 KMT2A (0.77) KMT2AMEN1MAPTGAATDP1
SCHEMBL22351812 0.78 KMT2A (0.62) KMT2AMEN1MAPTGAATDP1
SCHEMBL9674654 0.78 TERT (0.56) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL29473426 0.78 MEN1 (1.00) KMT2AMEN1MAPTGAATDP1
SCHEMBL437179 0.78 MEN1 (1.00) KMT2AMEN1MAPTGAATDP1

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 3 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
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