SCHEMBL23831791

SCHEMBL23831791

O=C(Nc1cc(Br)cc(NCCO)c1)Nc1cc(Br)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.42
LMNA P02545 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
TRPV1 Q8NER1 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
STING1 Q86WV6 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
SCHEMBL30105260 1.00 GRIK1 (0.42) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL23831792 0.93 LMNA (0.42) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL30105003 0.93 LMNA (0.42) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL30105176 0.92 KMT2A (0.46) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL23831978 0.92 KMT2A (0.46) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL23832087 0.90 LMNA (0.42) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL30105277 0.90 LMNA (0.42) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL23831627 0.90 SMN1; SMN2 (0.39) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL30104997 0.90 SMN1; SMN2 (0.39) GRIK1LMNANPC1RAB9AALDH1A1
SCHEMBL23831584 0.89 GRIK1 (0.53) GRIK1LMNANPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
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
WO-2021185391-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-09-23 WO disclosed