SCHEMBL29556232

SCHEMBL29556232

COc1cc(Br)cc(NC(=O)Nc2cc(Br)cc(Br)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 6/20 0.50
POLB P06746 1/20 0.50
HTT P42858 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 4/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
MAPK14 Q16539 2/20 0.47

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
SCHEMBL29556017 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556385 0.89 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556797 0.89 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556399 0.89 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556591 0.88 TP53 (0.60) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL29556574 0.86 S1PR2 (0.60) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL17102381 0.86 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556598 0.85 TP53 (0.70) RAB9ANPC1SMN1; SMN2KMT2AHTT
SCHEMBL29555881 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL29556193 0.83 MAPT (0.60) RAB9ANPC1SMN1; SMN2KMT2AHTT

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