SCHEMBL2025501

SCHEMBL2025501

CC1=[N+](C)c2ccccc2C1(C)C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
HTT P42858 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 3/20 0.42
RECQL P46063 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
APEX1 P27695 1/20 0.42
MMP14 P50281 2/20 0.36
RAD52 P43351 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL5350709 0.97 LMNA (0.40) LMNAHTTMEN1KMT2AMAPT
Sulfuric Acid SCHEMBL4604131 0.88 MAPT (0.45) LMNAHTTMEN1KMT2AMAPT
Sulfuric Acid SCHEMBL5371996 0.86 MAPT (0.44) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2031262 0.86 MAPT (0.44) LMNAHTTMEN1KMT2AMAPT
SCHEMBL5462937 0.85 LMNA (0.41) LMNAHTTMEN1KMT2AMAPT
Sulfuric Acid SCHEMBL4604006 0.85 MAPT (0.43) LMNAHTTMEN1KMT2AMAPT
SCHEMBL4603649 0.82 LMNA (0.41) LMNAHTTMEN1KMT2AMAPT
SCHEMBL14811317 0.82 LMNA (0.56) LMNAHTTMEN1KMT2AMAPT
SCHEMBL28339818 0.82 LMNA (0.37) LMNAHTTMEN1KMT2AMAPT
Trifluoromethanesulfonic Acid SCHEMBL31169577 0.81 MEN1 (0.40) LMNAHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7374580-B2 Dyeing compositions comprising A 1,2-indandione derivative L'OREAL S.A. (FR) 2008-05-20 US claimed
EP-1502580-B1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles OREAL (FR) 2008-01-23 EP claimed
EP-1500387-B1 Use of ninhydrin derivatives for dyeing OREAL (FR) 2008-01-09 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-7192455-B2 Process for dyeing keratin fibers with at least one ninhydrin derivative L'OREAL S.A. (FR) 2007-03-20 US claimed
US-7182790-B2 Use of at least one ninhydrin derivative for dyeing L'OREAL S.A. (FR) 2007-02-27 US claimed
US-7182791-B2 Composition and method of dyeing keratin fibers comprising at least one heteroalkyl group comprising at least one ninhydrin derivative L'OREAL S.A. (FR) 2007-02-27 US claimed
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1139988-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2002-09-25 EP claimed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 EP claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed