SCHEMBL6656042

SCHEMBL6656042

O=C1C=NN=C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.35
HDAC4 P56524 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
PDE4B Q07343 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33

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
SCHEMBL7695936 0.73 MAPT (0.36) MAPTKMT2AHPGDNPSR1TDP1
SCHEMBL5360787 0.72 MAPT (0.36) MAPTKMT2AHPGDNPSR1TDP1
SCHEMBL14889308 0.67 ALDH1A1 (0.44) MAPTKMT2AHPGDTDP1ALDH1A1
SCHEMBL4633787 0.65 MAPT (0.44) MAPTKMT2AHPGDALDH1A1LMNA
SCHEMBL8718613 0.65 MAPT (0.39) MAPTKMT2AHPGDNPSR1ALDH1A1
SCHEMBL576916 0.64 ALDH1A1 (0.47) MAPTKMT2AHPGDTDP1ALDH1A1
SCHEMBL8809436 0.64 MAPT (0.39) MAPTKMT2AHPGDNPSR1ALDH1A1
Biphenyl SCHEMBL13739106 0.61 ALDH1A1 (0.90) MAPTTDP1ALDH1A1LMNAHTT
Biphenyl SCHEMBL10906408 0.61 ALDH1A1 (0.90) MAPTTDP1ALDH1A1LMNAHTT
Biphenyl SCHEMBL11128312 0.61 ALDH1A1 (0.90) MAPTTDP1ALDH1A1LMNAHTT

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-1372584-A1 HAIR COLOURING COMPOSITIONS COMPRISING PYRAZOLONE DERIVATIVES AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2004-01-02 EP claimed
WO-2002080871-A1 HAIR COLOURING COMPOSITIONS COMPRISING PYRAZOLONE DERIVATIVES AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2002-10-17 WO claimed