SCHEMBL25547337

SCHEMBL25547337

O=C(COCc1ccccc1)Nc1cccc(I)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.60
PTPN1 P18031 1/20 0.60
NAMPT P43490 1/20 0.52
PARP1 P09874 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
TRPV1 Q8NER1 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CSNK1D P48730 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL839348 0.85 NAMPT (0.66) PTPRCPTPN1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL25547335 0.84 NAMPT (0.62) PTPRCPTPN1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL418094 0.83 MEN1 (0.60) PTPRCPTPN1NAMPTPARP1SMN1; SMN2
SCHEMBL7649333 0.83 PTPRC (0.60) PTPRCPTPN1NAMPTPARP1SMN1; SMN2
SCHEMBL13316189 0.83 MAPK1 (0.67) PTPRCPTPN1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL2349758 0.82 NAMPT (0.70) PTPRCPTPN1NAMPTSMN1; SMN2ALDH1A1
SCHEMBL964881 0.80 MEN1 (0.78) PTPRCPTPN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3576760 0.79 KMT2A (0.68) PTPRCPTPN1ALDH1A1MAPTKMT2A
SCHEMBL3857194 0.78 MAPT (0.58) PTPRCPTPN1NAMPTPARP1ALDH1A1
SCHEMBL4092498 0.78 KMT2A (0.60) PTPRCPTPN1SMN1; SMN2ALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081967-A1 COMPOUNDS AND USES THEREFOR THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-05-19 WO disclosed