SCHEMBL5504602

SCHEMBL5504602

O=S(=O)(NCC(CCO)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ GBA1 P04062 1/20 0.48
▸ TBXAS1 P24557 9/20 0.46
▸ CYP19A1 P11511 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12949528 0.90 GBA1 (0.58) GBA1TBXAS1LMNAMAPTNPSR1
SCHEMBL5502574 0.86 MAPT (0.59) TBXAS1LMNAMAPTNPSR1MEN1
SCHEMBL5508771 0.86 MAPT (0.59) TBXAS1LMNAMAPTNPSR1MEN1
SCHEMBL5503986 0.81 TP53 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL27287741 0.79 GRIA4 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6179006 0.79 GRIA4 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6992717 0.78 SMN1; SMN2 (0.51) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4415272 0.77 GRIA4 (0.40) MMP1MMP2MMP3MMP7MMP9
SCHEMBL5508754 0.74 TP53 (0.54) MMP1MMP2MMP3MMP7MMP9
SCHEMBL6987199 0.73 KMT2A (0.45) LMNAMAPTMEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 — — EP claimed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 — — EP claimed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 — — WO claimed
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