SCHEMBL21747464

SCHEMBL21747464

O=C(O)c1ccc2oc(-c3ccccc3[N+](=O)[O-])nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
F2 P00734 1/20 0.55
C1R P00736 1/20 0.55
HDAC6 Q9UBN7 5/20 0.50
RAB9A P51151 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NPC1 O15118 2/20 0.50
HDAC2 Q92769 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
KLK3 P07288 1/20 0.45
CASP6 P55212 1/20 0.44
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL28335514 0.82 RAB9A (0.69) MAPTKMT2AMEN1F2C1R
SCHEMBL10730860 0.82 HDAC6 (0.56) MAPTKMT2AMEN1HDAC6RAB9A
SCHEMBL3051786 0.81 MMP2 (0.61) MAPTKMT2AMEN1F2C1R
SCHEMBL3043863 0.81 NPC1 (0.61) MAPTKMT2AMEN1F2C1R
SCHEMBL21747490 0.81 MAPT (0.52) MAPTKMT2AMEN1F2C1R
SCHEMBL2252128 0.80 MAPT (0.68) MAPTKMT2AMEN1F2C1R
SCHEMBL12393101 0.78 MMP2 (0.67) MAPTKMT2AMEN1HDAC6RAB9A
SCHEMBL15413444 0.78 RAB9A (0.66) MAPTKMT2AMEN1F2C1R
SCHEMBL445014 0.77 HDAC6 (0.74) MAPTHDAC6RAB9AHDAC3HDAC1
SCHEMBL13767161 0.77 RAB9A (0.67) MAPTKMT2AMEN1HDAC6RAB9A

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