SCHEMBL21747490

SCHEMBL21747490

O=[N+]([O-])c1ccccc1-c1nc2cc(CO)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
F2 P00734 1/20 0.52
C1R P00736 1/20 0.52
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL6822046 0.83 NPC1 (0.58) MAPTKMT2AMEN1F2C1R
Methane SCHEMBL6821779 0.82 NPC1 (0.57) MAPTKMT2AMEN1F2C1R
SCHEMBL28335514 0.82 RAB9A (0.69) MAPTKMT2AMEN1F2C1R
SCHEMBL3051786 0.81 MMP2 (0.61) MAPTKMT2AMEN1F2C1R
SCHEMBL3043863 0.81 NPC1 (0.61) MAPTKMT2AMEN1F2C1R
SCHEMBL21747464 0.81 MAPT (0.55) MAPTKMT2AMEN1F2C1R
SCHEMBL2252128 0.80 MAPT (0.68) MAPTKMT2AMEN1F2C1R
SCHEMBL21747473 0.80 NPC1 (0.44) MAPTKMT2AMEN1F2C1R
SCHEMBL21747463 0.79 S1PR1 (0.47) MAPTKMT2AMEN1F2C1R
SCHEMBL5641287 0.78 TP53 (0.56) MAPTKMT2AMEN1C1RPOLB

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
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed