SCHEMBL23831910

SCHEMBL23831910

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ CNR1 P21554 1/20 0.47
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ NPC1 O15118 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ PTGER3 P43115 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MECP2 P51608 1/20 0.40

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 1.00 RAB9A (0.50) RAB9AALDH1A1HTTCNR1KCNK3
SCHEMBL23832066 0.87 AR (0.45) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL27077630 0.87 CNR1 (0.53) RAB9AALDH1A1CNR1KCNK3KCNK9
SCHEMBL30105096 0.87 CNR1 (0.43) RAB9AALDH1A1HTTCNR1KCNK3
SCHEMBL23831972 0.87 CNR1 (0.43) RAB9AALDH1A1HTTCNR1KCNK3
SCHEMBL23831797 0.87 CNR1 (0.47) RAB9AALDH1A1HTTCNR1KCNK3
SCHEMBL30792378 0.83 RAB9A (0.42) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL23831606 0.83 SMARCA2 (0.54) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL23831824 0.83 RAB9A (0.42) RAB9AALDH1A1HTTNPC1SMN1; SMN2
SCHEMBL23831642 0.81 TRPV1 (0.49) RAB9AALDH1A1HTTCNR1KCNK3

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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