SCHEMBL30105069

SCHEMBL30105069

NCCNc1cc(Cl)cc(NC(=O)Nc2cc(Cl)ccc2CO)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 4/20 0.40
DHODH Q02127 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
P2RY1 P47900 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL23831587 1.00 GRIK1 (0.43) GRIK1MEN1KMT2ACA12CA1
SCHEMBL30105213 0.93 GRIK1 (0.44) GRIK1MEN1KMT2ACA12CA1
SCHEMBL23831891 0.93 GRIK1 (0.44) GRIK1MEN1KMT2ACA12CA1
SCHEMBL30105111 0.92 GRIK1 (0.51) GRIK1MEN1KMT2ACA12CA1
SCHEMBL27077631 0.92 GRIK1 (0.51) GRIK1MEN1KMT2ACA12CA1
SCHEMBL23832012 0.91 MAPT (0.42) GRIK1MEN1KMT2ACA12CA1
SCHEMBL23831721 0.91 TRPV1 (0.43) GRIK1MEN1KMT2ACA12CA1
SCHEMBL30105345 0.91 TRPV1 (0.43) GRIK1MEN1KMT2ACA12CA1
SCHEMBL30105120 0.91 MAPT (0.42) GRIK1MEN1KMT2ACA12CA1
SCHEMBL23831702 0.90 GRIK1 (0.45) GRIK1MEN1KMT2ACA12CA1

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