SCHEMBL30105018

SCHEMBL30105018

NCCNc1cc(Br)cc(NC(=O)Nc2cccc(Br)c2CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HTT P42858 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL23832060 1.00 RAB9A (0.40) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL23831832 0.92 HTT (0.41) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL30105157 0.92 HTT (0.41) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL30105097 0.91 MEN1 (0.43) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL23831788 0.91 MEN1 (0.43) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL23831661 0.91 RAB9A (0.45) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL30105251 0.91 RAB9A (0.45) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL23831909 0.91 RAB9A (0.42) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL30105062 0.91 RAB9A (0.42) RAB9ANPC1MEN1KMT2AHTT
SCHEMBL23832024 0.89 MEN1 (0.46) RAB9ANPC1MEN1KMT2AHTT

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
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed