SCHEMBL5159834

SCHEMBL5159834

Cc1ccc(N2N=CCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
LMNA P02545 2/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 5/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 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
SCHEMBL16283581 0.82 GAA (0.43) LMNAMGLLMAPTGAAMEN1
SCHEMBL9527067 0.82 MEN1 (0.50) ELANECTSGCMA1LMNAMGLL
SCHEMBL4343096 0.82 KMT2A (0.44) CTSGCMA1MAPTGAAMEN1
Hydrochloric Acid SCHEMBL28869998 0.81 HSP90AA1 (0.38) LMNAMAPTGAAMEN1KMT2A
SCHEMBL157611 0.80 L3MBTL1 (0.53) MGLLMAPTGAAMEN1KMT2A
SCHEMBL5972463 0.77 MAPT (0.50) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL27755858 0.74 POLB (0.43) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL4343429 0.74 HSD17B10 (0.40) LMNAMAPTGAAMEN1KMT2A
SCHEMBL7492867 0.71 MAPT (0.45) ELANEMAPTGAAMEN1KMT2A
SCHEMBL8600426 0.69 DDB1 (0.43) LMNAMAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1387661-B1 TWO-PART AQUEOUS COMPOSITION FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2007-01-24 EP claimed
EP-1359889-B1 PRIMARY INTERMEDIATE FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2006-12-20 EP claimed
EP-1359892-B1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2006-05-10 EP claimed
EP-1357889-B1 NOVELS COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2006-04-05 EP claimed
EP-1359891-B1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2006-03-15 EP claimed