SCHEMBL454595

SCHEMBL454595

COc1cc(OC)c(NCCO)cc1NCCO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.40
GBA1 P04062 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2326696 0.89 BMPR1B (0.41) TNFKDM4EGLAHTTTSHR
SCHEMBL28088166 0.87 TNF (0.40) TNFKDM4EGLAHTTTSHR
SCHEMBL687380 0.82 TUBB4A (0.40) TNFKDM4EGLAHTTTSHR
Hydrochloric Acid SCHEMBL9192756 0.81 TUBB4A (0.43) TNFKDM4EGLAHTTTSHR
SCHEMBL5176527 0.80 KDM4E (0.41) TNFKDM4EGLAHTTTSHR
SCHEMBL2434485 0.80 ALDH1A1 (0.57) KDM4ETSHRL3MBTL1GBA1ALDH1A1
SCHEMBL28409276 0.80 RAD52 (0.55) KDM4ETSHRL3MBTL1POLBGBA1
SCHEMBL11822323 0.80 MAPT (0.58) KDM4EHTTTSHRL3MBTL1POLB
SCHEMBL5162466 0.80 POLB (0.44) TNFKDM4EGLATSHRL3MBTL1
SCHEMBL3904069 0.80 KDM4E (0.46) TNFKDM4EGLAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4785024-B2 2011-10-05 JP claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US claimed
US-7771734-B2 Process to color and permanently restructure hair WELLA AG (DE) 2010-08-10 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
EP-1655056-B1 Process to colour and permanently restructure hair WELLA AG (DE) 2008-07-02 EP claimed
EP-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
US-7326254-B2 Means and method for the simultaneous bleaching and dyeing of keratin fibres WELLA AG (DE) 2008-02-05 US claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
EP-1599178-B1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2007-12-19 EP claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
WO-2001072686-A1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-10-04 WO claimed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP claimed
US-6132475-A FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS WELLA AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US claimed
EP-0963982-A2 New diaminobenzene derivatives and these componends containing colouring agents Wella Aktiengesellschaft (DE) 1999-12-15 EP claimed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP claimed
US-5180396-A Process for dyeing keratinous fibres with oxidation dyes combined with indole derivatives and dyeing composition employed L'OREAL (FR) 1993-01-19 US claimed
US-5180397-A Hair dyes L'OREAL (FR) 1993-01-19 US claimed
US-4985955-A INTENSE COLORATIONS IN RELATIVELY SHORT TIMES L'OREAL (FR) 1991-01-22 US claimed