SCHEMBL3240214

SCHEMBL3240214

Cc1c(O)cccc1O.Nc1nc(N)c(N)c(N)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.41
DHFR P00374 2/20 0.38
METAP2 P50579 1/20 0.37
PLAU P00749 1/20 0.37
NCF1 P14598 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADORA2A P29274 2/20 0.37
DCPS Q96C86 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL3241711 0.91 SMN1; SMN2 (0.44) TRPA1ATMSMN1; SMN2ALDH1A1HSP90AA1
Resorcinol SCHEMBL3245482 0.75 CA12 (0.52) ALDH1A1DHFRADORA2ATSHRADORA2B
SCHEMBL33721 0.75
SCHEMBL4873527 0.75 TRPA1 (0.72) TRPA1ATMSMN1; SMN2ALDH1A1METAP2
SCHEMBL27612535 0.73 SMN1; SMN2 (0.42) TRPA1ATMSMN1; SMN2ALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL7792394 0.72 TRPA1 (0.68) TRPA1ATMSMN1; SMN2ALDH1A1METAP2
Potassium SCHEMBL30632313 0.72 TRPA1 (0.68) TRPA1ATMSMN1; SMN2ALDH1A1METAP2
SCHEMBL29085428 0.72 TRPA1 (0.68) TRPA1ATMSMN1; SMN2ALDH1A1METAP2
SCHEMBL30632314 0.72 TRPA1 (0.68) TRPA1ATMSMN1; SMN2ALDH1A1METAP2
SCHEMBL27913911 0.72 TRPA1 (0.68) TRPA1ATMSMN1; SMN2ALDH1A1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687266-A1 Colour intensification by means of polyacrylate Henkel AG & Co. KGaA (DE) 2014-01-22 EP disclosed
EP-2209459-A1 OXIDATION DYE FOR DYEING KERATIN-CONTAINING FIBRES WITH ATMOSPHERIC OXYGEN AS THE SOLE OXIDISING AGENT Henkel AG & Co. KGaA (DE) 2010-07-28 EP disclosed
EP-2152226-A2 OXIDATION DYES FOR DYEING FIBRES CONTAINING KERATIN USING ATMOSPHERIC OXYGEN AS THE ONLY OXIDATION AGENT Henkel AG & Co. KGaA (DE) 2010-02-17 EP disclosed
WO-2009065632-A1 OXIDATION DYE FOR DYEING KERATIN-CONTAINING FIBRES WITH ATMOSPHERIC OXYGEN AS THE SOLE OXIDISING AGENT HENKEL AG & CO. KGAA (DE) 2009-05-28 WO disclosed
EP-2037871-A1 OXIDATION DYES FOR DYEING KERATIN FIBERS CONTAINING ATMOSPHERIC OXYGEN AS THE ONLY OXIDIZING AGENT Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008151858-A2 OXIDATION DYES FOR DYEING FIBRES CONTAINING KERATIN USING ATMOSPHERIC OXYGEN AS THE ONLY OXIDATION AGENT HENKEL AG & CO. KGAA (DE) 2008-12-18 WO disclosed
WO-2008003686-A1 OXIDATION DYES FOR DYEING KERATIN FIBERS CONTAINING ATMOSPHERIC OXYGEN AS THE ONLY OXIDIZING AGENT HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
EP-1858594-A1 AMMONIA-FREE OXIDATION DYE FOR DYEING KERATIN FIBERS WITH ATMOSPHERIC OXYGEN SERVING AS THE SOLE OXIDIZING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-28 EP disclosed
WO-2006097167-A1 AMMONIA-FREE OXIDATION DYE FOR DYEING KERATIN FIBERS WITH ATMOSPHERIC OXYGEN SERVING AS THE SOLE OXIDIZING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-09-21 WO disclosed