SCHEMBL11223006

SCHEMBL11223006

O=[N+]([O-])c1cccc2c1ccn2O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.47
GPR35 Q9HC97 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.41
CTSB P07858 1/20 0.41
NOS1 P29475 1/20 0.40
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28296005 0.79 TDP1 (0.53) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL28256635 0.79 TDP1 (0.53) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL2475315 0.79 GAA (0.66) TDP1GAAALDH1A1GPR35TSHR
SCHEMBL28294148 0.79 TDP1 (0.53) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL23926472 0.78 TDP1 (0.48) TDP1GAAALDH1A1GPR35NPC1
SCHEMBL15910820 0.77 TDP1 (0.47) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL10673736 0.76 TDP1 (0.50) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL28910275 0.76 TDP1 (0.50) TDP1GAAALDH1A1GPR35MEN1
SCHEMBL14658363 0.76 MET (0.47) TDP1GAAALDH1A1GPR35HSP90AA1
SCHEMBL3690450 0.75 GAA (0.49) TDP1GAAALDH1A1GPR35MEN1

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
JP-57142968-A None JP disclosed
JP-57142969-A None JP disclosed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
JP-S57142968-A PREPARATION OF 4-HYDROXYINDOLE DERIVATIVE NISSAN CHEM IND LTD 1982-09-03 JP disclosed
JP-S57142969-A SUBSTITUTED INDOLE NISSAN CHEM IND LTD 1982-09-03 JP disclosed