SCHEMBL23831925

SCHEMBL23831925

COc1cc(NCCN)cc(NC(=O)Nc2cccc(Br)c2CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
PTGER3 P43115 4/20 0.43
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL30105235 1.00 RAB9A (0.52) RAB9AALDH1A1HTTPTGER3NPC1
SCHEMBL23831600 0.92 RAB9A (0.54) RAB9AALDH1A1HTTPTGER3NPC1
SCHEMBL30105028 0.92 RAB9A (0.54) RAB9AALDH1A1HTTPTGER3NPC1
SCHEMBL30105218 0.90 RAB9A (0.48) RAB9AALDH1A1HTTPTGER3NPC1
SCHEMBL23831731 0.90 RAB9A (0.48) RAB9AALDH1A1HTTPTGER3NPC1
SCHEMBL23832060 0.88 RAB9A (0.40) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL30105018 0.88 RAB9A (0.40) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL23831789 0.88 HTT (0.40) RAB9AALDH1A1HTTMAPTMEN1
SCHEMBL30105190 0.88 HTT (0.40) RAB9AALDH1A1HTTMAPTMEN1
SCHEMBL23831911 0.88 PTGER3 (0.49) RAB9AALDH1A1HTTPTGER3NPC1

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