SCHEMBL29556014

SCHEMBL29556014

CSc1cccc(NC(=O)Nc2cccc(Br)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
MAPT P10636 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.74
TP53 P04637 1/20 0.74
MAPK1 P28482 1/20 0.74
HSD17B10 Q99714 1/20 0.74
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
KDM4E B2RXH2 2/20 0.59
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
TRPV1 Q8NER1 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL29555999 0.92 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL17084253 0.89 MEN1 (0.87) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL29556263 0.86 MAPT (0.69) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL7611935 0.85 MEN1 (0.76) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL19707566 0.85 GAA (0.65) MEN1KMT2AMAPTKDM4ETRPV1
SCHEMBL6724512 0.84 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL24756290 0.82 MAPT (0.76) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL23832082 0.82 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL29555968 0.81 KMT2A (0.74) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL29555918 0.81 MEN1 (0.81) MEN1KMT2AMAPTSMN1; SMN2POLB

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