SCHEMBL29556591

SCHEMBL29556591

COc1cc(Br)cc(NC(=O)Nc2cccc(Br)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.60
TSHR P16473 1/20 0.60
RAB9A P51151 9/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 8/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 7/20 0.57
MITF O75030 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 1/20 0.53
STAT1 P42224 1/20 0.53
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CDK8 P49336 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL29556598 0.90 TP53 (0.70) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556240 0.89 TP53 (0.55) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556242 0.89 MAPT (0.60) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556193 0.89 MAPT (0.60) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556244 0.89 TP53 (0.55) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556232 0.88 RAB9A (0.52) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL29556941 0.84 GAA (0.59) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL19707566 0.82 GAA (0.65) RAB9AHTTALDH1A1MAPTMEN1
SCHEMBL29556965 0.82 MAPT (0.52) TP53TSHRRAB9AHTTALDH1A1
SCHEMBL4893387 0.81 TP53 (0.87) TP53TSHRRAB9AHTTALDH1A1

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-2022078533-A1 SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2022-04-21 WO disclosed