SCHEMBL28759359

SCHEMBL28759359

Cc1cc(N)c2oc3ccccc3c2c1-c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
CDC14B O60729 1/20 0.43
CDC14A Q9UNH5 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
TNKS O95271 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5 P09917 2/20 0.40
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
MAOA P21397 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL3874492 0.82 PKM (0.54) ALDH1A1MAPTKDM4EALOX5ESR2
SCHEMBL3882623 0.77 NQO1 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL3879211 0.75 PKM (0.53) ALDH1A1MAPTKDM4EESR2MAOA
SCHEMBL17106869 0.74 CA1 (0.43) PTPN1CDC14BCDC14AALDH1A1MAPT
SCHEMBL3873224 0.71 NQO1 (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27653126 0.71 ESR1 (0.49) MAPTESR2ESR1MEN1KMT2A
SCHEMBL22377031 0.70 KDM4E (0.44) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL11471945 0.70 PTPN1 (0.56) PTPN1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL27653183 0.70 RET (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EESR2
SCHEMBL3880857 0.69 MAOA (0.51) ALDH1A1MAPTKDM4EALOX5ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed