SCHEMBL17433705

SCHEMBL17433705

O=C1Cc2cccc(O)c2C(=O)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 10/20 0.64
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPN P05981 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX5 P09917 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
PTGS1 P23219 1/20 0.58
PDE4A P27815 1/20 0.58
KDR P35968 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SIRT5 Q9NXA8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58

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
SCHEMBL20886849 0.78 TDP2 (0.64) TDP2MAPTCASP3CASP7CASP9
SCHEMBL22904178 0.78 TDP2 (0.64) TDP2MEN1KMT2ACASP3CASP7
SCHEMBL11565330 0.78 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904158 0.78 TDP2 (0.64) TDP2CASP3CASP7CASP9CASP6
SCHEMBL18010796 0.78 TDP2 (1.00) TDP2CASP3CASP7CASP9CASP6
SCHEMBL22904362 0.77 TDP2 (0.58) TDP2MEN1USP2ALDH1A1HPN
SCHEMBL4411843 0.77 AHR (0.61) TDP2MEN1USP2ALDH1A1HPN
SCHEMBL22904137 0.76 AURKA (0.62) TDP2CASP3CASP7CASP9CASP6
SCHEMBL18010805 0.75 TDP2 (1.00) TDP2CYP3A4CASP3CASP7CASP9
Anthralin SCHEMBL3197 0.74 MAPT (1.00) MEN1USP2ALDH1A1HPNCYP3A4

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
EP-2975026-A1 Method of nitrosation of organic compound DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2016-01-20 EP disclosed