SCHEMBL21779989

SCHEMBL21779989

C/C(S)=N/C(C)NCCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PAOX Q6QHF9 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25903306 0.76 CA12 (0.43) CA12CA1CA2CA9TSHR
SCHEMBL682249 0.76 CA12 (0.46) CA12CA1CA2CA9TSHR
SCHEMBL25934899 0.73 CA12 (0.45) CA12CA1CA2CA9TSHR
SCHEMBL24634118 0.73 KEAP1 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL10409514 0.71 CA12 (0.42) CA12CA1CA2CA9TSHR
SCHEMBL22456024 0.71 ALDH1A1 (0.46) CA12CA1CA2CA9TSHR
SCHEMBL23155982 0.71 CA12 (0.52) CA12CA1CA2CA9TSHR
SCHEMBL28927539 0.71 ALDH1A1 (0.51) CA12CA1CA2CA9TSHR
SCHEMBL30394130 0.70 GAA (0.49) CA12CA1CA2CA9TSHR
SCHEMBL7277448 0.70 GAA (0.46) TSHRTDP1ALDH1A1MAPTKDM4E

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-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed