Sugi Predict

Sugi Predict / Compounds / SCHEMBL30452926

SCHEMBL30452926

SCHEMBL30452926

Nc1ncc(-c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1OCc1c(F)ccc(F)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.56
▸ CD274 Q9NZQ7 6/20 0.49
▸ KLK7 P49862 1/20 0.47
▸ WDR5 P61964 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ BMPR1B O00238 1/20 0.46
▸ BMPR1A P36894 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ ACVRL1 P37023 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46

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
SCHEMBL487849 1.00 MET (0.56) METCD274KLK7WDR5KMT2A
SCHEMBL30454986 0.95 MET (0.61) METCD274BMPR1BBMPR1ATGFBR1
SCHEMBL488567 0.95 MET (0.61) METCD274BMPR1BBMPR1ATGFBR1
SCHEMBL30453910 0.93 MET (0.64) METKMT2ABMPR1BBMPR1ATGFBR1
SCHEMBL488244 0.93 MET (0.64) METKMT2ABMPR1BBMPR1ATGFBR1
SCHEMBL487728 0.92 MET (0.49) METKLK7KMT2A
SCHEMBL30453447 0.92 MET (0.49) METKLK7KMT2A
SCHEMBL488212 0.91 MET (0.60) METCD274
SCHEMBL30454062 0.91 MET (0.60) METCD274
SCHEMBL487903 0.88 MET (0.70) METCD274BMPR1BBMPR1ATGFBR1

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