SCHEMBL6135331

SCHEMBL6135331

CN(C)c1ccc(Nc2ccc(N)cc2[N+](=O)[O-])c(OC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
ALDH3A1 P30838 1/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
PTGS2 P35354 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL9622892 0.85 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9622602 0.85 MAPT (0.53) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27737633 0.83 MAPT (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9622919 0.83 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9622901 0.83 L3MBTL1 (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL109591 0.83 MAPT (0.53) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL127397 0.82 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9623030 0.82 MAPT (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9623039 0.77 L3MBTL1 (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9622925 0.77 ALDH1A1 (0.46) MAPTNPSR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047379-B1 COMPOSITION FOR THE OXIDATIVE DYEING OF KERATINIC FIBERS COMPRISING A LACCASE AND DEYING PROCESS USING SUCH A COMPOSITION OREAL (FR) 2001-10-10 EP claimed
EP-0971689-B2 AQUEOUS HAIR CARE PRODUCTS HENKEL KGAA (DE) 2005-03-23 EP disclosed
EP-1037591-B1 COSMETIC PREPARATIONS CONTAINING A SPECIAL COMBINATION OF ACTIVE AGENTS HENKEL KGAA (DE) 2005-01-12 EP disclosed
EP-1039875-B1 HAIR TREATMENT COMPOSITION CONTAINING BIOPOLYMERS, PANTHENOL AND MONO- AND/OR DISACCHARIDES HENKEL KGAA (DE) 2002-10-30 EP disclosed
EP-0971689-B1 AQUEOUS SKIN AND HAIR CARE PRODUCTS HENKEL KGAA (DE) 2002-08-21 EP disclosed
EP-1039875-A2 ACTIVE SUBSTANCE COMBINATION Henkel Kommanditgesellschaft auf Aktien (DE) 2000-10-04 EP disclosed
EP-1037591-A1 COSMETIC PREPARATIONS CONTAINING A SPECIAL COMBINATION OF ACTIVE AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-27 EP disclosed
EP-0971689-A1 AQUEOUS SKIN AND HAIR CARE PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-01-19 EP disclosed
EP-0742709-B1 COMPLEX OF ACTIVE INGREDIENTS FOR HAIR CONDITIONERS HENKEL KGAA (DE) 1999-09-22 EP disclosed
WO-1999032071-A2 HAIR TREATMENT AGENT CONTAINING BIOPOLYMERS AND MONOSACCHARIDES AND/OR DISSACHARIDES AND/OR PANTHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-07-01 WO disclosed
WO-1999029287-A1 COSMETIC PREPARATIONS CONTAINING A SPECIAL COMBINATION OF ACTIVE AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-17 WO disclosed
EP-0765154-B1 DIRECT-ACTING HAIR COLOURING AGENT HENKEL KGAA (DE) 1999-01-20 EP disclosed
WO-1998044907-A1 AQUEOUS SKIN AND HAIR CARE PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-15 WO disclosed
EP-0765154-A1 DIRECT-ACTING HAIR COLOURING AGENT Henkel Kommanditgesellschaft auf Aktien (DE) 1997-04-02 EP disclosed
EP-0742709-A1 COMPLEX OF ACTIVE INGREDIENTS FOR HAIR CONDITIONERS Henkel Kommanditgesellschaft auf Aktien (DE) 1996-11-20 EP disclosed
WO-1996005799-A1 HAIR DYE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-02-29 WO disclosed
WO-1995034273-A1 DIRECT-ACTING HAIR COLOURING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-12-21 WO disclosed
WO-1995020938-A1 COMPLEX OF ACTIVE INGREDIENTS FOR HAIR CONDITIONERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-08-10 WO disclosed
EP-0578665-B1 HAIR COLOURANTS WITH DIRECT DYES HENKEL KGAA (DE) 1994-12-21 EP disclosed
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed