SCHEMBL30105009

SCHEMBL30105009

COc1cc(NC(=O)Nc2cc(F)cc(F)c2CO)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HTT P42858 3/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ PDGFRA P16234 6/20 0.42
▸ SORT1 Q99523 1/20 0.41
▸ KDR P35968 5/20 0.41
▸ KIT P10721 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NFKB1 P19838 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
SCHEMBL23831640 1.00 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23831797 0.87 CNR1 (0.47) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23831704 0.85 HTT (0.45) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23832093 0.85 HTT (0.47) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23831654 0.83 MAPT (0.46) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23832026 0.83 SMARCA2 (0.54) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23831972 0.80 CNR1 (0.43) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23832027 0.80 CNR1 (0.50) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL30105096 0.80 CNR1 (0.43) RAB9ANPC1SMN1; SMN2HTTCNR1
SCHEMBL23831771 0.80 MAPT (0.56) RAB9ANPC1SMN1; SMN2HTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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