SCHEMBL23831797

SCHEMBL23831797

COc1cc(NC(=O)Nc2cccc(F)c2CO)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ PTGER3 P43115 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CDK8 P49336 1/20 0.42

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
SCHEMBL30105050 0.87 RAB9A (0.50) CNR1SMN1; SMN2NPC1RAB9AKCNK3
SCHEMBL23831910 0.87 RAB9A (0.50) CNR1SMN1; SMN2NPC1RAB9AKCNK3
SCHEMBL30105009 0.87 RAB9A (0.43) CNR1SMN1; SMN2NPC1RAB9AKCNK3
SCHEMBL23831640 0.87 RAB9A (0.43) CNR1SMN1; SMN2NPC1RAB9AKCNK3
SCHEMBL27077630 0.87 CNR1 (0.53) CNR1SMN1; SMN2NPC1RAB9AKCNK3
SCHEMBL23832086 0.85 RAB9A (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30105143 0.85 RAB9A (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30105076 0.85 CA12 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23831850 0.85 CA12 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL23831628 0.83 SMARCA2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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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