SCHEMBL3948026

SCHEMBL3948026

O=S(=O)(c1ccc2oc(-c3ccc4ccccc4c3)nc2c1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 6/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ AHR P35869 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ MCOLN3 Q8TDD5 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN5 P54829 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ PKM P14618 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47

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
SCHEMBL3944431 0.81 UTRN (0.77) UTRNCYP1A2AHRHDAC6KMT2A
SCHEMBL17479807 0.79 ALDH1A1 (0.60) CYP1A2MCOLN3TSHRKMT2AMEN1
Ezutromid SCHEMBL31080435 0.79 UTRN (1.00) UTRNCYP1A2AHRHDAC6KMT2A
Ezutromid SCHEMBL30791155 0.79 UTRN (1.00) UTRNCYP1A2AHRHDAC6KMT2A
Ezutromid SCHEMBL732212 0.79 UTRN (1.00) UTRNCYP1A2AHRHDAC6KMT2A
Ezutromid SCHEMBL29376738 0.79 UTRN (1.00) UTRNCYP1A2AHRHDAC6KMT2A
SCHEMBL17479721 0.78 MAPK1 (0.56) CYP1A2AHRTSHRKMT2AMEN1
SCHEMBL3169939 0.77 MCOLN3 (0.97) MCOLN3TSHRKMT2AMEN1SMN1; SMN2
Ezutromid SCHEMBL3954452 0.76 UTRN (0.84) UTRNCYP1A2AHRHDAC6KMT2A
SCHEMBL3947253 0.76 UTRN (0.77) UTRNCYP1A2AHRHDAC6KMT2A

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-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 — — WO disclosed
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