SCHEMBL17824564

SCHEMBL17824564

Cc1ncc(CNC(=O)c2ccccc2N)s1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 8/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 2/20 0.43
RCE1 Q9Y256 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
HDAC1 Q13547 3/20 0.36
NSD2 O96028 2/20 0.36
HDAC3 O15379 1/20 0.36
SCD O00767 1/20 0.35
HDAC2 Q92769 1/20 0.35
GRIN2B Q13224 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL17824909 0.89 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10RCE1
SCHEMBL17825054 0.75 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10RCE1
SCHEMBL24570156 0.72 GRIN1 (0.40) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL17824869 0.69 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10RCE1
SCHEMBL29746328 0.68 KDM4E (0.40) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL17825110 0.66 PARG (0.52) GRIN1GRIN2AGRIN2B
SCHEMBL16615793 0.66 GRIN2A (0.45) ALDH1A1HPGDGRIN1GRIN2ASCD
SCHEMBL22720161 0.65 HPGD (0.69) ALDH1A1HPGDKDM4EHSD17B10TP53
SCHEMBL6093501 0.65 HPGD (0.69) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL29433988 0.65 HPGD (0.69) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2

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
EP-3230273-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG Cancer Research Technology Ltd (GB) 2017-10-18 EP disclosed
WO-2016092326-A1 2,4-DIOXO-QUINAZOLINE-6-SULFONAMIDE DERIVATIVES AS INHIBITORS OF PARG CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-16 WO disclosed