SCHEMBL29556598

SCHEMBL29556598

COc1cccc(NC(=O)Nc2cc(Br)cc(Br)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.70
TSHR P16473 1/20 0.70
RAB9A P51151 12/20 0.68
ALDH1A1 P00352 4/20 0.68
HTT P42858 4/20 0.68
NPC1 O15118 10/20 0.66
MITF O75030 1/20 0.65
MAPT P10636 8/20 0.62
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
STAT1 P42224 1/20 0.62
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59

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
SCHEMBL29556591 0.90 TP53 (0.60) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL31040569 0.89 TP53 (0.87) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL4893387 0.89 TP53 (0.87) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL17084260 0.87 TP53 (0.84) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL29556232 0.85 RAB9A (0.52) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL4345400 0.85 RAB9A (0.69) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL29556193 0.85 MAPT (0.60) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL29556242 0.85 MAPT (0.60) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL14442613 0.84 TP53 (0.84) TP53TSHRRAB9AALDH1A1HTT
SCHEMBL7610775 0.84 TP53 (0.73) TP53TSHRRAB9AALDH1A1HTT

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