SCHEMBL8776569

SCHEMBL8776569

[N]=Nc1c(S(=O)(=O)O)c(N)c(O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 6/20 0.41
▸ DAPK1 P53355 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ CYP2D6 P10635 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ SNCA P37840 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ SUMO2 P61956 2/20 0.35
▸ SUMO1 P63165 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35

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
SCHEMBL8776573 0.88 DAPK1 (0.44) MPLDAPK1HSP90AA1CYP2D6MEN1
SCHEMBL28996760 0.81 DAPK1 (0.49) MPLDAPK1CYP2D6MEN1ALDH1A1
SCHEMBL10811806 0.81 SUMO2 (0.50) MPLCYP2D6MEN1ALDH1A1APP
SCHEMBL8379569 0.80 DAPK1 (0.47) MPLDAPK1CYP2D6MEN1ALDH1A1
SCHEMBL8776617 0.75 AURKA (0.42) MPLDAPK1CYP2D6ALDH1A1CYP1A2
SCHEMBL30852244 0.73 DAPK1 (0.47) MPLDAPK1CYP2D6MEN1ALDH1A1
SCHEMBL155814 0.73 DAPK1 (0.47) MPLDAPK1CYP2D6MEN1ALDH1A1
SCHEMBL8025326 0.73 DAPK1 (0.56) MPLDAPK1CYP2D6MEN1ALDH1A1
SCHEMBL9770459 0.72 SUMO2 (0.50) MPLCYP2D6MEN1ALDH1A1APP
SCHEMBL3208064 0.70 HSP90AA1 (0.58) MPLDAPK1HSP90AA1CYP2D6MEN1

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
EP-0810265-A1 Substantive stilbene azo dyestuffs BAYER AG (DE) 1997-12-03 — — EP disclosed
Send feedback