SCHEMBL30105097

SCHEMBL30105097

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
DHODH Q02127 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CXCR2 P25025 2/20 0.39
CXCR1 P25024 1/20 0.39
RAB9A P51151 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL23831788 1.00 MEN1 (0.43) MEN1KMT2AMAPTLMNAHTT
SCHEMBL30105012 0.91 DHODH (0.43) MEN1KMT2AMAPTLMNAHTT
SCHEMBL30105018 0.91 RAB9A (0.40) MEN1KMT2AMAPTLMNAHTT
SCHEMBL23831571 0.91 DHODH (0.43) MEN1KMT2AMAPTLMNAHTT
SCHEMBL23832060 0.91 RAB9A (0.40) MEN1KMT2AMAPTLMNAHTT
SCHEMBL23831832 0.90 HTT (0.41) MEN1KMT2AMAPTLMNAHTT
SCHEMBL30105157 0.90 HTT (0.41) MEN1KMT2AMAPTLMNAHTT
SCHEMBL23831722 0.89 CNR1 (0.44) MEN1KMT2AMAPTLMNAHTT
SCHEMBL23831981 0.89 CNR1 (0.44) MEN1KMT2AMAPTLMNAHTT
SCHEMBL30105229 0.89 CNR1 (0.44) MEN1KMT2AMAPTLMNAHTT

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