SCHEMBL11546372

SCHEMBL11546372

O=C(O)c1cnc2c(=O)c3cc(Cl)ccc3oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 8/20 0.64
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MCL1 Q07820 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL2904829 0.82 TTR (0.62) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11356523 0.82 MAOB (0.55) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11356856 0.81 TBK1 (0.50) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11361243 0.81 TTR (0.42) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11544426 0.80 NPC1 (0.45) TTRKMT2AMEN1NPC1RAB9A
SCHEMBL11379997 0.76 TTR (0.44) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11356857 0.75 TTR (0.56) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL2907889 0.74 TTR (0.54) TTRALDH1A1KMT2AMEN1NPC1
SCHEMBL11549501 0.74 MEN1 (0.70) TTRALDH1A1KMT2AMEN1NPC1
Diethanolamine SCHEMBL11361495 0.74 POLB (0.39) TTRALDH1A1KMT2AMEN1NPC1

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
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
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