SCHEMBL23832005

SCHEMBL23832005

O=C(Nc1ccnc(F)c1)Nc1cc(Br)cc(Br)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ KMT2A Q03164 7/20 0.38
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ HTT P42858 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ MAPT P10636 5/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ SMARCA2 P51531 4/20 0.36
▸ SMARCA4 P51532 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL30105307 1.00 KCNH2 (0.39) KCNH2KMT2ANPC1RAB9AHTT
SCHEMBL23832028 0.88 AR (0.43) KMT2ANPC1RAB9AHTTLMNA
SCHEMBL30105294 0.88 AR (0.43) KMT2ANPC1RAB9AHTTLMNA
SCHEMBL30792378 0.86 RAB9A (0.42) KCNH2KMT2ANPC1RAB9AHTT
SCHEMBL23831824 0.86 RAB9A (0.42) KCNH2KMT2ANPC1RAB9AHTT
SCHEMBL23831929 0.86 SMARCA2 (0.54) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL30105015 0.86 SMARCA2 (0.54) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL23831826 0.85 NPC1 (0.37) KMT2ANPC1RAB9AHTTLMNA
SCHEMBL23831972 0.83 CNR1 (0.43) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL30105096 0.83 CNR1 (0.43) KMT2ANPC1RAB9AHTTSMN1; SMN2

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
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