SCHEMBL21192534

SCHEMBL21192534

O=S(=O)(c1ccccc1)N(CCF)c1ccc(C#Cc2cc3cnccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SNCA P37840 5/20 0.54
POLB P06746 1/20 0.42
NAMPT P43490 3/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
NR1H2 P55055 3/20 0.37
NR1I2 O75469 2/20 0.35
MEN1 O00255 1/20 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
SCHEMBL20005063 0.83 SNCA (0.65) MAPTSNCAPOLBKDM4EKMT2A
SCHEMBL19995103 0.83 MAPT (0.56) MAPTSNCAPOLBKDM4EKMT2A
SCHEMBL20004978 0.72 SNCA (1.00) MAPTSNCA
SCHEMBL21115115 0.70 RORC (0.46) MAPTPOLBKMT2ANR1H2NR1I2
SCHEMBL22537776 0.69 SNCA (0.59) MAPTSNCA
SCHEMBL20005056 0.64 SNCA (0.69) MAPTSNCA
SCHEMBL20005022 0.63 NR1I2 (0.55) MAPTPOLBKDM4EKMT2ANR1I2
SCHEMBL9737942 0.63 NAMPT (0.54) NAMPT
SCHEMBL20004999 0.62 SNCA (1.00) MAPTSNCA
SCHEMBL20004553 0.61 SNCA (1.00) MAPTSNCA

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-3515912-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES Centre National De La Recherche Scientifique (FR) 2019-07-31 EP disclosed