SCHEMBL21779847

SCHEMBL21779847

CCC(C)c1cncc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
DYRK1A Q13627 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL20718668 0.85 CHRNB2 (0.33) CHRNB2CHRNA4HCAR2MAPK1ADORA2B
SCHEMBL23260180 0.79 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL20272980 0.79 ALDH1A1 (0.36) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL5700554 0.79 HCAR2 (0.39) CHRNB2CHRNA4HCAR2HDAC8ADORA2B
SCHEMBL20832746 0.78 LMNA (0.41) CHRNB2CHRNA4HCAR2LMNADYRK1A
SCHEMBL15157880 0.78 SLC6A4 (0.36) CHRNB2CHRNA4HCAR2SCN10A
SCHEMBL19380148 0.78 HCAR2 (0.35) HCAR2ALDH1A1GAAUSP2PKM
SCHEMBL7644300 0.76 TSHR (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL10289777 0.76 TSHR (0.40) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL9178609 0.76 ALDH1A1 (0.39) ALDH1A1GAAUSP2PKMHPGD

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