SCHEMBL16615490

SCHEMBL16615490

B[SH](=O)(c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1)N(CCC)CCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.61
▸ NPC1 O15118 9/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MAPT P10636 6/20 0.57
▸ TSHR P16473 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ SMN1; SMN2 Q16637 9/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CASP3 P42574 5/20 0.56
▸ SENP7 Q9BQF6 5/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.54

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
SCHEMBL16615492 0.77 ALDH1A1 (0.76) RAB9ANPC1KMT2AMAPTTSHR
SCHEMBL17947664 0.76 ALDH1A1 (0.66) RAB9ANPC1KMT2AMAPTTSHR
SCHEMBL6848423 0.74 RAB9A (0.84) RAB9ANPC1KMT2AMAPTTSHR
SCHEMBL8768779 0.74 RAB9A (0.82) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL108116 0.74 NPC1 (1.00) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL12111900 0.73 RAB9A (0.76) RAB9ANPC1KMT2AMAPTTSHR
SCHEMBL4727186 0.73 RAB9A (0.81) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL28925954 0.72 RAB9A (0.85) RAB9ANPC1KMT2AMAPTTSHR
SCHEMBL2971586 0.72 RAB9A (0.78) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL11238457 0.71 RAB9A (1.00) RAB9ANPC1KMT2AMAPTSMN1; SMN2

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
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 — — WO disclosed
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