SCHEMBL23398990

SCHEMBL23398990

Cc1ccccc1-n1cc(O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
RXRA P19793 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2B Q13224 5/20 0.41
EPHX2 P34913 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK11 Q15759 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
P2RX7 Q99572 1/20 0.39
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL17066470 0.81 TDO2 (0.49) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL22633214 0.78 MAPK14 (0.43) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL12365100 0.78 ELANE (0.47) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL671958 0.78 ELANE (0.47) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL23403311 0.77 GAA (0.51) GAAMAPK14MGLLALDH1A1HPGD
SCHEMBL11480162 0.76 ALKBH2 (0.63) MAPK14MAPK11
SCHEMBL18752585 0.76 MAPK14 (0.50) FLT3GSK3BMAPK14MAPK11P2RX7
SCHEMBL7222099 0.76 GAA (0.42) GAAFLT3GSK3BRXRAGRIN1
SCHEMBL18254780 0.75 RXRA (0.40) FLT3GSK3BRXRAGRIN1GRIN2B
SCHEMBL17952503 0.75 GRM4 (0.41) FLT3GSK3BRXRAGRIN1GRIN2B

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed