SCHEMBL17593142

SCHEMBL17593142

O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
POLB P06746 4/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 6/20 0.62
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 4/20 0.62
RXFP1 Q9HBX9 3/20 0.60
DPP4 P27487 1/20 0.60
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MMP2 P08253 1/20 0.54
PTPN1 P18031 1/20 0.54
HTR2C P28335 1/20 0.54
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL15113529 0.84 ALDH1A1 (0.75) MAPTPOLBKMT2AKDM4EMEN1
SCHEMBL396527 0.82 CFTR (0.60) POLBKMT2AKDM4EMEN1ALDH1A1
SCHEMBL6225199 0.77 POLB (0.72) MAPTPOLBTP53KMT2AKDM4E
SCHEMBL29753973 0.77 CFTR (0.63) KMT2AMEN1HTR2CHRH3
SCHEMBL4430677 0.76 CFTR (0.80) KMT2AMEN1ALDH1A1HTR2CHRH3
SCHEMBL17593240 0.76 NPC1 (0.60) MAPTPOLBTP53KMT2AKDM4E
SCHEMBL17593284 0.74 KMT2A (0.62) MAPTPOLBTP53KMT2AKDM4E
SCHEMBL20567516 0.74 STING1 (0.64) KMT2AMEN1HTR2CHRH3
SCHEMBL20567521 0.74 STING1 (0.64) MAPTPOLBKMT2AKDM4EMEN1
SCHEMBL20567704 0.74 STING1 (0.64) KMT2AMEN1HTR2CHRH3

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-2016040449-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed