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Sugi Predict / Compounds / SCHEMBL30453386

SCHEMBL30453386

SCHEMBL30453386

CC(C)(C)c1ccc(COc2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cnc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 14/20 0.57
▸ MET P08581 2/20 0.57
▸ HPGD P15428 1/20 0.51
▸ BMPR1B O00238 1/20 0.48
▸ BMPR1A P36894 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ ACVRL1 P37023 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ HPGDS O60760 1/20 0.48

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
SCHEMBL488159 1.00 CD274 (0.57) CD274METHPGDBMPR1BBMPR1A
SCHEMBL487737 0.95 MET (0.56) CD274METBMPR1BBMPR1ATGFBR1
SCHEMBL30452713 0.95 MET (0.56) CD274METBMPR1BBMPR1ATGFBR1
SCHEMBL10217572 0.83 MERTK (0.53) CD274METHPGDBMPR1BBMPR1A
SCHEMBL27650221 0.82 MET (0.54) METBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL487776 0.82 MET (0.56) CD274METHPGDHPGDS
SCHEMBL30452829 0.82 MET (0.56) CD274METHPGDHPGDS
SCHEMBL30454041 0.82 MET (0.57) CD274METHPGDHPGDS
SCHEMBL487702 0.82 MET (0.57) CD274METHPGDHPGDS
SCHEMBL487659 0.81 MET (0.56) CD274METHPGD

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 — — CN disclosed