SCHEMBL2332528

SCHEMBL2332528

CCNc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
CDK2 P24941 1/20 0.54
HCAR3 P49019 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNMA1 Q12791 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
CDC25B P30305 1/20 0.43
FBP1 P09467 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
SCHEMBL14249239 0.85 SMN1; SMN2 (0.49) TSHRSMN1; SMN2CTSDTDP1L3MBTL1
SCHEMBL3478216 0.85 MAPT (0.56) TSHRCDK2HCAR3SMN1; SMN2TDP1
SCHEMBL3035419 0.84 CDK2 (0.59) TSHRCDK2CTSDTDP1L3MBTL1
SCHEMBL6118560 0.84 TDP1 (0.52) TSHRHCAR3SMN1; SMN2TDP1L3MBTL1
SCHEMBL17936438 0.83 ALDH1A1 (0.54) TSHRSMN1; SMN2L3MBTL1KCNMA1MAPT
SCHEMBL1820526 0.83 TSHR (0.56) TSHRCDK2SMN1; SMN2CTSDTDP1
SCHEMBL305239 0.83 TSHR (0.63) TSHRCDK2HCAR3CTSDTDP1
SCHEMBL6683771 0.82 CDK2 (0.55) TSHRCDK2SMN1; SMN2CTSDTDP1
SCHEMBL28476762 0.82 MAPT (0.55) TSHRHCAR3SMN1; SMN2TDP1MAPT
Hydrochloric Acid SCHEMBL7418132 0.81 TSHR (0.61) TSHRCDK2HCAR3CTSDTDP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103167860-B Process for producing a colorant for keratin fibres 汉高股份有限及两合公司 2017-04-26 CN disclosed
EP-2651376-A2 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND SILICONES Henkel AG & Co. KGaA (DE) 2013-10-23 EP disclosed
WO-2012079950-A2 BRIGHTENING AGENT COMPRISING ACYLPYRIDINIUM COMPOUNDS AND SILICONES HENKEL AG & CO. KGAA (DE) 2012-06-21 WO disclosed
EP-2355905-A2 ALTERNATIVE OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2011-08-17 EP disclosed
WO-2010076104-A2 ALTERNATIVE OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2010-07-08 WO disclosed
EP-2200735-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS Henkel AG & Co. KGaA (DE) 2010-06-30 EP disclosed
EP-2180877-A2 LIGHTENING AGENTS WITH DELAYED BLEACHING ACTION Henkel AG & Co. KGaA (DE) 2010-05-05 EP disclosed
EP-2054124-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2009053127-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS HENKEL AG & CO. KGAA (DE) 2009-04-30 WO disclosed
WO-2009030517-A2 LIGHTENING AGENTS WITH DELAYED BLEACHING ACTION HENKEL AG & CO. KGAA (DE) 2009-03-12 WO disclosed
WO-2007124857-A2 LIGHTENING AND/OR DYEING AGENTS CONTAINING A PLURALITY OF FORMIC ACID ESTERS AND/OR IMIDOFORMIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2007-11-08 WO disclosed
WO-2007118617-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007107310-A2 REDUCTIVE COLOUR REMOVAL HENKEL AG & CO. KGAA (DE) 2007-09-27 WO disclosed
EP-1827364-A1 HAIR TREATMENT KIT COMPRISING DYEING AND BLEACHING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-09-05 EP disclosed
WO-2007093271-A2 RHEOPEXY GELS AS VEHICLES HENKEL AG & CO. KGAA (DE) 2007-08-23 WO disclosed
WO-2007079793-A1 CARE HAIR-TREATMENT COMPOSITION WITH HYPERBRANCHED POLYMERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-19 WO disclosed
WO-2006111255-A1 PASTE-LIKE HAIR TREATMENT AGENT COMPRISING CYCLIC CARBOXYLATE ESTERS AND SILICATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-26 WO disclosed
WO-2006108505-A2 OXIDATION DYES COMPRISING 2-FURANONES AND COLLAGEN (DERIVATIVES) HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO disclosed
WO-2006108504-A1 OXIDATION DYES COMPRISING PERSULFATES AND/OR PEROXODISULFATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-19 WO disclosed
WO-2006066640-A1 HAIR TREATMENT KIT COMPRISING DYEING AND BLEACHING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-06-29 WO disclosed