SCHEMBL23831745

SCHEMBL23831745

O=C(Nc1cc(Br)cc(NCCO)c1)Nc1cccc(F)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
NPC1 O15118 6/20 0.46
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TRPA1 O75762 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL30105191 1.00 RAB9A (0.46) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL23831661 0.92 RAB9A (0.45) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30105251 0.92 RAB9A (0.45) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30105236 0.91 RAB9A (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL23831668 0.91 RAB9A (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL23831662 0.90 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30105257 0.90 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL23831909 0.89 RAB9A (0.42) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30105062 0.89 RAB9A (0.42) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30105014 0.88 CNR1 (0.45) RAB9AMEN1KMT2ANPC1MAPT

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