SCHEMBL25364751

SCHEMBL25364751

NC(=O)Oc1ccccc1O.NC(=O)Oc1ccccc1O.NC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.50
MAPT P10636 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 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
SCHEMBL29463214 0.86 GAA (0.50) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL140239 0.86 GAA (0.50) MAPTHSD17B10TSHRKDM4EALDH1A1
Bromide SCHEMBL5764896 0.84 GAA (0.48) MAPTHSD17B10TSHRKDM4EALDH1A1
SCHEMBL689023 0.79 ESR1 (0.62) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL31021028 0.75 PARP1 (0.73) PARP1MAPTHSD17B10TSHRKMT2A
SCHEMBL36694 0.75 PARP1 (0.73) PARP1MAPTHSD17B10TSHRKMT2A
SCHEMBL9248932 0.73 KMT2A (0.59) MAPTHSD17B10KDM4EALDH1A1HPGD
Methane SCHEMBL688609 0.73 PARP1 (0.70) PARP1MAPTHSD17B10TSHRKMT2A
Water SCHEMBL7768285 0.73 PARP1 (0.70) PARP1MAPTHSD17B10TSHRKMT2A
SCHEMBL29728552 0.73 KMT2A (0.52) PARP1MAPTHSD17B10TSHRKDM4E

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
EP-4232491-A1 NOVEL FORMO-PHENOLIC RESINS, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAME IN THE EXTRACTION OF URANIUM FROM WATER Centre National de la Recherche Scientifique (CNRS) (FR) 2023-08-30 EP disclosed