SCHEMBL29556263

SCHEMBL29556263

CSc1cccc(NC(=O)Nc2cc(Cl)cc(Br)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
MEN1 O00255 10/20 0.69
KMT2A Q03164 10/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.63
TP53 P04637 1/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
IDH1 O75874 1/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 4/20 0.51
NPSR1 Q6W5P4 2/20 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
SCHEMBL29555999 0.90 MEN1 (0.72) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29555957 0.90 MAPT (0.78) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29555918 0.86 MEN1 (0.81) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29556014 0.86 MEN1 (0.74) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29556561 0.85 MAPT (0.71) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29555972 0.84 MEN1 (0.74) MAPTMEN1KMT2ASMN1; SMN2TP53
SCHEMBL29556788 0.84 MEN1 (0.64) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29555910 0.84 TRPV1 (0.52) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL17084253 0.81 MEN1 (0.87) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL29556215 0.80 MEN1 (0.67) MAPTMEN1KMT2ALMNAHTT

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