SCHEMBL7572616

SCHEMBL7572616

Cn1nc2ccc(C(F)(F)F)cc2c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
POLB P06746 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNA2 P20248 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
KIF11 P52732 3/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RIPK2 O43353 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
HRH4 Q9H3N8 2/20 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
SCHEMBL13106171 0.83 MCHR1 (0.44) BACE1KDM4CCCNE2CCNA2CCNE1
SCHEMBL17610190 0.81 KDM4C (0.43) BACE1KDM4CEPHX2SCN4ACCNE2
SCHEMBL27359889 0.78 KDM4C (0.41) BACE1KDM4CPOLBCCNE2CCNA2
SCHEMBL13106492 0.77 MAPK14 (0.41) BACE1ALDH1A1KDM4EMAPK14
SCHEMBL6736388 0.76 KDM4E (0.44) POLBALDH1A1KDM4EKDR
SCHEMBL11750373 0.75 CFTR (0.45) KDM4CCDK2KDM4ERIPK2KDR
SCHEMBL30054489 0.75 SCN9A (0.42) KIF11NOS3NOS2ALDH1A1PKM
SCHEMBL2634528 0.75 SCN9A (0.42) KIF11NOS3NOS2ALDH1A1PKM
SCHEMBL11751783 0.73 MAPT (0.42) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL14831277 0.73 KDM4E (0.42) POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP claimed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US claimed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP claimed
EP-0904769-B1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method OREAL (FR) 2002-09-25 EP disclosed
US-6027538-A OXIDATION DYEING OF KERATINOUS FIBERS CONTAINING AT LEAST ONE COUPLER SELECTED FROM INDAZOLEAMINE DERIVATIVES AND AT LEAST ONE OXIDATION BASE; POWERFUL, NOT VERY SELECTIVE HAIR DYES WHICH ARE CAPABLE OF GENERATING INTENSE COLOR L'OREAL S.A. (FR) 2000-02-22 US disclosed
EP-0904769-A1 Keratin fibre dye compositions containing Indazole amine derivatives and dyeing method L'OREAL (FR) 1999-03-31 EP disclosed