SCHEMBL9150171

SCHEMBL9150171

Cc1cc(=O)n(-c2ccccc2)[nH]1.Cc1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 6/20 0.68
KDM4E B2RXH2 6/20 0.68
KMT2A Q03164 5/20 0.68
HTT P42858 5/20 0.68
GAA P10253 4/20 0.68
MEN1 O00255 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 4/20 0.64
RECQL P46063 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.61
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61
ATM Q13315 1/20 0.61
ALKBH3 Q96Q83 1/20 0.51
TSHR P16473 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.49
ALOX15 P16050 1/20 0.47
GFER P55789 1/20 0.46

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
SCHEMBL5425653 1.00 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL34121 1.00 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EKMT2AHTT
Methyl Alcohol SCHEMBL1028813 0.96 MAPT (0.69) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL7164529 0.91 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL23907023 0.89 MAPT (0.65) ALDH1A1MAPTKDM4EKMT2AHTT
Butylamine SCHEMBL11849200 0.84 MAPT (0.51) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL8418696 0.84 MAPT (0.59) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL11119546 0.84 MAPT (0.51) ALDH1A1MAPTKDM4EKMT2AHTT
Questiomycin B SCHEMBL11210024 0.84 MAPT (0.59) ALDH1A1MAPTKDM4EKMT2AHTT
SCHEMBL486125 0.84 MAPT (0.73) ALDH1A1MAPTKDM4EKMT2AHTT

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
US-5395926-A Colorfast dyes for olefin polymers CIBA-GEIGY CORPORATION (US) 1995-03-07 US disclosed