SCHEMBL7715697

SCHEMBL7715697

CCSc1cc2nc(C(F)(F)F)cc(=O)n2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM5B Q9UGL1 1/20 0.46
RAD51 Q06609 3/20 0.45
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7719496 0.80 KDM4E (0.59) ALDH1A1KDM5BRAD51KDM4EHSD17B10
SCHEMBL7716577 0.77 KDM4E (0.63) ALDH1A1KDM5BRAD51KCNQ3KCNQ2
SCHEMBL4612369 0.74 ABCC9 (0.66) ALDH1A1KDM5BRAD51KCNQ3KCNQ2
SCHEMBL7711920 0.71 SMN1; SMN2 (0.33) ALDH1A1KDM5BRAD51KDM4EHSD17B10
SCHEMBL7715688 0.70 KDM4E (0.35) ALDH1A1KDM4EHSD17B10LMNAMEN1
SCHEMBL7711899 0.70 KDM5B (0.46) ALDH1A1KDM5BRAD51KCNQ3KCNQ2
SCHEMBL23414710 0.69 ALDH1A1 (0.49) ALDH1A1KDM5BPKMKDM4EL3MBTL1
SCHEMBL7716579 0.69 LOXL2 (0.54) ALDH1A1KDM5BRAD51KCNQ3KCNQ2
SCHEMBL7711788 0.69 KDM4E (0.64) ALDH1A1KCNQ3KCNQ2PKMKDM4E
SCHEMBL26847224 0.65 FABP4 (0.60) ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 EP claimed
US-6379395-B1 DYEING FOR HAIR DYE L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US disclosed