SCHEMBL24257583

SCHEMBL24257583

Cc1c(-c2cccc(Cl)c2)cnc(C(=O)NC2(C)COC2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.41
ADORA1 P30542 4/20 0.39
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
PLA2G1B P04054 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PTGER1 P34995 5/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
CYP1A2 P05177 1/20 0.36
ABL1 P00519 1/20 0.36
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL24257584 0.90 MAPK1 (0.39) GABRA5ADORA1MAPK1MAPK10PTGER1
SCHEMBL24257575 0.89 ADORA1 (0.37) ADORA1MAPK1MAPK10PLA2G1BHTT
SCHEMBL30452750 0.89 ADORA1 (0.37) ADORA1MAPK1MAPK10PLA2G1BHTT
SCHEMBL30453562 0.83 LPAR1 (0.39) ADORA1MAPK1MAPK10L3MBTL1PTGER1
SCHEMBL30453138 0.83 GPR119 (0.41) ADORA1MAPK1MAPK10PTGER1CYP2C9
SCHEMBL24257587 0.83 LPAR1 (0.39) ADORA1MAPK1MAPK10L3MBTL1PTGER1
SCHEMBL24257807 0.83 GPR119 (0.41) ADORA1MAPK1MAPK10PTGER1CYP2C9
SCHEMBL30454075 0.82 PTGER1 (0.47) ADORA1MAPK1MAPK10PTGER1CYP2C9
SCHEMBL24257585 0.82 PTGER1 (0.47) ADORA1MAPK1MAPK10PTGER1CYP2C9
SCHEMBL24257532 0.79 CNR2 (0.48) ADORA1MAPK1MAPK10L3MBTL1PTGER1

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
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed