SCHEMBL9620601

SCHEMBL9620601

COc1ncnc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8673149 0.85 ALDH1A1 (0.54) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL2893620 0.81 ALDH1A1 (0.49) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL27598773 0.79 BCL6 (0.53) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL9754368 0.78 F2 (0.49) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL897079 0.78 ALDH1A1 (0.49) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL7075310 0.77 ALDH1A1 (0.50) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL7244914 0.77 ALDH1A1 (0.56) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL9368620 0.76 ALDH1A1 (0.45) ALDH1A1GAAHTTSMN1; SMN2F2
SCHEMBL27456552 0.76 ALDH1A1 (0.54) ALDH1A1F2F12MAPTMEN1
SCHEMBL8428163 0.76 POLB (0.48) ALDH1A1GAAHTTSMN1; SMN2F2

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-5104441-A HERBICIDAL SULFONAMIDES AND THEIR USE TO INFLUENCE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed