SCHEMBL30105096

SCHEMBL30105096

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ KCNK3 O14649 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ SORT1 Q99523 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PABPC1 P11940 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDR P35968 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL23831972 1.00 CNR1 (0.43) CNR1KCNK3KCNK9RAB9AALDH1A1
SCHEMBL23832028 0.87 AR (0.43) RAB9AHTTMEN1KMT2AKDR
SCHEMBL30105294 0.87 AR (0.43) RAB9AHTTMEN1KMT2AKDR
SCHEMBL30105050 0.87 RAB9A (0.50) CNR1KCNK3KCNK9RAB9AALDH1A1
SCHEMBL23831910 0.87 RAB9A (0.50) CNR1KCNK3KCNK9RAB9AALDH1A1
SCHEMBL23831637 0.83 CNR1 (0.43) CNR1KCNK3KCNK9RAB9AALDH1A1
SCHEMBL30105307 0.83 KCNH2 (0.39) RAB9AALDH1A1HTTMEN1KMT2A
SCHEMBL23831929 0.83 SMARCA2 (0.54) CNR1RAB9AHTTMEN1KMT2A
SCHEMBL23832005 0.83 KCNH2 (0.39) RAB9AALDH1A1HTTMEN1KMT2A
SCHEMBL30105015 0.83 SMARCA2 (0.54) CNR1RAB9AHTTMEN1KMT2A

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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