SCHEMBL4223765

SCHEMBL4223765

O=C(NNC(=O)c1ncccc1O)c1cccc(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.60
EGLN2 Q96KS0 1/20 0.55
FTO Q9C0B1 1/20 0.55
TERT O14746 2/20 0.47
ALOX5 P09917 1/20 0.47
L1CAM P32004 1/20 0.46
GRM4 Q14833 2/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL4229962 0.83 TERT (0.63) TERTALOX5L1CAMNPC1KDM4E
SCHEMBL4542670 0.80 KDM4E (0.54) TLR7GRM4NPC1KDM4EALDH1A1
SCHEMBL4218154 0.78 CA1 (0.65) TERTALOX5L1CAMNPC1KDM4E
SCHEMBL109257 0.76 FTO (0.65) TLR7EGLN2FTOGRM4KDM4E
SCHEMBL9674654 0.76 TERT (0.56) TERTALOX5L1CAMNPC1KDM4E
SCHEMBL3724024 0.73 EGLN2 (0.60) TLR7EGLN2FTOGRM4NPC1
SCHEMBL6448406 0.73 TLR7 (0.56) TLR7L1CAMNPC1KDM4EALDH1A1
SCHEMBL23514351 0.72 FTO (0.69) TLR7EGLN2FTOGRM4KDM4E
SCHEMBL8651464 0.72 HDAC1 (0.47) TLR7EGLN2FTOKDM4EALDH1A1
SCHEMBL9725157 0.72 NPC1 (0.68) TERTNPC1KDM4EL3MBTL1RAB9A

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