SCHEMBL291122

SCHEMBL291122

NCCNc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.55
NPC1 O15118 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAOA P21397 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30479701 1.00 TERT (0.55) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
Anthraquinone SCHEMBL2033678 1.00 TERT (0.55) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10910157 0.98 TERT (0.54) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8999752 0.90 TERT (0.53) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11934957 0.86 TERT (0.49) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5401590 0.86 TERT (0.54) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL18984781 0.83 NPC1 (0.58) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7536203 0.81 SMN1; SMN2 (0.49) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22216006 0.81 TERT (0.43) TERTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL32679355 0.80 MAPT (0.55) TERTNPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099242-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO claimed
US-4226784-A 2- and 5-Aminoalkylamino anthraquinone dyes useful as basic dyes in coloring hair L'OREAL (FR) 1980-10-07 US claimed
WO-2023118332-A1 COMPOSITION COMPRISING TWO POLYOLS DIFFERENT FROM ONE ANOTHER, AN ALKALINE AGENT AND A DYE L'OREAL (FR) 2023-06-29 WO disclosed
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 EP disclosed
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP disclosed
US-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 US disclosed
US-10005259-B2 Packaging device for a hair dyeing product L'OREAL (FR) 2018-06-26 US disclosed
EP-2306963-B1 MATTING ADDITIVE FOR BLEACHING HENKEL AG & CO KGAA (DE) 2018-03-28 EP disclosed
EP-2044977-B1 Hair dye with oxidative pre-treatment HENKEL AG & CO KGAA (DE) 2018-02-14 EP disclosed
EP-2324811-B1 Foam-like dye HENKEL AG & CO KGAA (DE) 2018-01-03 EP disclosed
EP-0758547-A1 Anthraquinone hair dyes having a quaternary ammonium side chain Bristol-Myers Company (US) 1997-02-19 EP disclosed
US-5520707-A CATIONIC HAIR DYES CLAIROL, INC. (US) 1996-05-28 US disclosed
US-4695653-A Cationic surface-active agents L'OREAL (FR) 1987-09-22 US disclosed
US-4436909-A HAIR COSMETICS L'OREAL (FR) 1984-03-13 US disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US disclosed
US-4226784-A 2- and 5-Aminoalkylamino anthraquinone dyes useful as basic dyes in coloring hair L'OREAL (FR) 1980-10-07 US disclosed
US-4220602-A FOR HAIR COSMETICS L'OREAL (FR) 1980-09-02 US disclosed
US-4096332-A POLYHYDROXYLATED TERTIARY AMINES OR QUATERNARY AMMONIUM SALTS THEREOF L'OREAL (FR) 1978-06-20 US disclosed
US-4009255-A POLYHYDROXYLATED TERTIARY AMINES SOCIETE ANONYME DITE: L'OREAL (FR) 1977-02-22 US disclosed