SCHEMBL27673141

SCHEMBL27673141

Cn1c2ccccc2c2ccc(N)c(-c3ccccc3O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
HSP90AA1 P07900 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.44
FTO Q9C0B1 1/20 0.44
GPR3 P46089 1/20 0.42
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
HTT P42858 2/20 0.39
LIMK1 P53667 1/20 0.38
PABPC1 P11940 2/20 0.38
LMNA P02545 3/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL28762589 0.81 HSP90AA1 (0.47) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL3883800 0.79 ALKBH5 (0.51) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL3876508 0.75 ALKBH5 (0.51) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL3875043 0.75 ALKBH5 (0.55) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL5964412 0.74 ALKBH5 (0.63) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL1181056 0.73 ALKBH5 (0.58) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL16441368 0.72 HSP90AA1 (0.50) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL13564071 0.72 GPR3 (0.71) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL3423943 0.72 GPR3 (0.71) IDO1HSP90AA1ALKBH5FTOGPR3
SCHEMBL3874378 0.72 ALKBH5 (0.55) IDO1HSP90AA1ALKBH5FTOGPR3

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