SCHEMBL21332729

SCHEMBL21332729

Nc1cc(Cc2ccccc2)[nH]c(=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
XDH P47989 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AOC3 Q16853 1/20 0.47
ADORA1 P30542 1/20 0.47
SCN9A Q15858 1/20 0.47
TSHR P16473 1/20 0.45
DAO P14920 1/20 0.44
LTB4R Q15722 1/20 0.44
MPO P05164 1/20 0.43
TPO P07202 1/20 0.43
CYP3A4 P08684 1/20 0.43
EPX P11678 1/20 0.43
PNP P00491 2/20 0.42
BACE1 P56817 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
GSK3B P49841 1/20 0.41
F2 P00734 1/20 0.41
KMT2A Q03164 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
SCHEMBL5907151 0.77 AOC3 (0.56) PARP1XDHSMN1; SMN2AOC3ADORA1
SCHEMBL3499891 0.72 HPGD (0.59) AOC3TSHRMPOTPOCYP3A4
SCHEMBL5421093 0.70 CDC7 (0.67) GSK3B
Hydrochloric Acid SCHEMBL17397945 0.70 HPGD (0.57) AOC3TSHRMPOTPOCYP3A4
SCHEMBL29903956 0.70 AOC3 (0.47) SMN1; SMN2AOC3ADORA1DAOKMT2A
SCHEMBL12290980 0.70 CALM1 (0.55) XDHSMN1; SMN2LTB4RMPOTPO
SCHEMBL7106470 0.69 PARP1 (0.65) PARP1SMN1; SMN2ADORA1DAOF2
SCHEMBL28267391 0.69 NPC1 (0.53) SMN1; SMN2ADORA1LTB4RMPOTPO
SCHEMBL1287276 0.68 SMN1; SMN2 (0.69) PARP1SMN1; SMN2ADORA1DAO
SCHEMBL9007840 0.68 ALDH1A1 (0.47) SMN1; SMN2LTB4RMPOTPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024201691-A1 METHOD FOR SCREENING COMPOUND INDUCING AUTOPHAGY 国立大学法人東北大学 2024-10-03 WO disclosed
WO-2024204648-A1 SCREENING METHOD FOR COMPOUND INDUCING AUTOPHAGY 国立大学法人東北大学 2024-10-03 WO disclosed
WO-2023215712-A2 SYSTEMS AND METHODS FOR MODULATING RNA THE UNIVERSITY OF CHICAGO (US) 2023-11-09 WO disclosed
EP-3906042-A1 SYSTEMS AND METHODS FOR MODULATING RNA The University of Chicago (US) 2021-11-10 EP disclosed
EP-3761976-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS The Penn State Research Foundation (US) 2021-01-13 EP disclosed
WO-2020142676-A1 SYSTEMS AND METHODS FOR MODULATING RNA THE UNIVERSITY OF CHICAGO (US) 2020-07-09 WO disclosed
WO-2019173607-A1 DYES FOR ANALYSIS OF SOLUBLE PROTEIN AGGREGATES OR MISFOLDED PROTEIN OLIGOMERS THE PENN STATE RESEARCH FOUNDATION (US) 2019-09-12 WO disclosed