SCHEMBL7302582

SCHEMBL7302582

COC(=O)COc1ccc(CC(=O)NCc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
F2 P00734 6/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 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
SCHEMBL9269532 1.00 MAPT (0.54) MAPTNPC1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL9273979 0.99 MAPT (0.53) MAPTNPC1LMNAMEN1KMT2A
Acetic Acid SCHEMBL9274305 0.97 NPC1 (0.51) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL9274240 0.88 MAPT (0.52) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7303187 0.88 ITGB3 (0.56) NPC1LMNAMEN1KMT2AALDH1A1
SCHEMBL7303301 0.88 ITGB3 (0.56) NPC1LMNAMEN1KMT2AALDH1A1
Iodide SCHEMBL9261540 0.87 MAPT (0.51) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7442551 0.86 PRSS1 (0.61) NPC1LMNAMEN1KMT2ACA12
SCHEMBL5037610 0.81 PKM (0.49) MAPTNPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8407192 0.81 PRSS1 (0.54) MAPTKMT2AGAAF2PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed