SCHEMBL6573304

SCHEMBL6573304

CC(=O)C1C(=O)N(c2ccccc2)N=C1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
PKM P14618 1/20 0.55
MAPT P10636 8/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 8/20 0.49
GFER P55789 1/20 0.49
LOX P28300 1/20 0.47
LOXL3 P58215 1/20 0.47
LOXL4 Q96JB6 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
KDM4E B2RXH2 5/20 0.46
CES2 O00748 6/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL418870 0.83 HTT (0.50) LMNAHTTPKMMAPTCYP2C9
Water SCHEMBL6895357 0.81 LMNA (0.71) LMNAHTTPKMMAPTCYP2C9
SCHEMBL419792 0.79 MAPT (0.61) LMNAHTTPKMMAPTCYP2C9
SCHEMBL11869646 0.77 LOX (0.67) LMNAHTTPKMMAPTALDH1A1
SCHEMBL28708842 0.74 LMNA (0.75) LMNAHTTPKMMAPTCYP2C9
SCHEMBL22670234 0.72 HTT (0.55) LMNAHTTPKMMAPTCYP2C9
SCHEMBL3259546 0.72 ALDH1A1 (0.49) LMNAHTTPKMMAPTCYP2C9
SCHEMBL11376494 0.71 MT-CO2 (0.46) LMNAHTTPKMMAPTALDH1A1
SCHEMBL420936 0.71 NPC1 (0.47) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL12309402 0.71 HTT (0.69) LMNAHTTPKMMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408918-A2 HAIR COLOURING COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2003009822-A2 HAIR COLOURING COMPOSITIONS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2003-02-06 WO disclosed