SCHEMBL6553330

SCHEMBL6553330

Cc1ccc(S(=O)(=O)O)c(Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
HSD17B10 Q99714 1/20 0.45
POLB P06746 3/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL1607271 1.00 ACHE (0.46) ACHEBCHEHSD17B10POLBLMNA
SCHEMBL1453562 0.84 TSHR (0.43) ACHEHSD17B10POLBPKMALDH1A1
SCHEMBL1453554 0.84 TSHR (0.43) ACHEHSD17B10POLBPKMALDH1A1
SCHEMBL283800 0.83 CYP1A2 (0.47) ACHEHSD17B10POLBLMNAALDH1A1
SCHEMBL6005448 0.83 CYP1A2 (0.47) ACHEHSD17B10POLBLMNAALDH1A1
SCHEMBL28277948 0.82 ALDH1A1 (0.55) POLBLMNAALDH1A1MAPTMEN1
SCHEMBL5676946 0.80 MEN1 (0.43) ACHEBCHEPOLBLMNANPC1
SCHEMBL28299042 0.80 CA12 (0.47) POLBCA12CA1CA2CA9
SCHEMBL14881082 0.80 ALDH1A1 (0.43) ACHEHSD17B10POLBCA12CA1
SCHEMBL909723 0.80 MEN1 (0.46) POLBALDH1A1MAPTMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021024964-A1 FLUORINE-CONTAINING ISOCYANUL COMPOUND ダイキン工業株式会社 2021-02-11 WO disclosed
US-20040076909-A1 Colour changing composition and colouring polymeric articles made therefrom SHIRLEY DIANNE BETH (GB) 2004-04-22 US disclosed
EP-1103017-B1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM VANTICO LTD (GB) 2004-02-25 EP disclosed
US-6649311-B1 Dispersed Microcapsules containing a photosensitive colour changing composition; cationic photoinitiators; stereolithography VANTICO LIMITED (GB) 2003-11-18 US disclosed
EP-1103017-A1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM Vantico Limited (GB) 2001-05-30 EP disclosed
WO-2000007071-A1 COLOUR CHANGING COMPOSITION AND COLOURING POLYMERIC ARTICLES MADE THEREFROM VANTICO LIMITED (GB) 2000-02-10 WO disclosed