SCHEMBL7716577

SCHEMBL7716577

Cc1cc2nc(C(F)(F)F)cc(=O)n2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
LMNA P02545 2/20 0.63
RAD51 Q06609 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM5B Q9UGL1 1/20 0.49
RECQL P46063 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCR2 P25025 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
KCNQ3 O43525 1/20 0.45

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
SCHEMBL4612369 0.81 ABCC9 (0.66) KDM4ELMNARAD51ALDH1A1KDM5B
SCHEMBL461294 0.78 KDM4E (1.00) KDM4ELMNARAD51TDP1HSD17B10
SCHEMBL7711899 0.77 KDM5B (0.46) KDM4ELMNARAD51ALDH1A1KDM5B
SCHEMBL7715697 0.77 ALDH1A1 (0.47) KDM4ELMNARAD51HSD17B10ALDH1A1
SCHEMBL7711788 0.75 KDM4E (0.64) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL7716579 0.72 LOXL2 (0.54) KDM4ERAD51ALDH1A1HPGDKDM5B
SCHEMBL688253 0.69 KDM4E (1.00) KDM4ELMNATDP1HSD17B10ALDH1A1
SCHEMBL23415012 0.67 ALDH1A1 (0.64) KDM4ELMNAHSD17B10ALDH1A1RAB9A
SCHEMBL23415014 0.67 KDM4E (0.56) KDM4ELMNATDP1HSD17B10ALDH1A1
SCHEMBL31449507 0.67 ALPI (0.46) KDM4EALDH1A1KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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