SCHEMBL24568632

SCHEMBL24568632

C=Cc1nc(-c2cc3ccc(OCc4ccccc4)nc3n2C(=O)OC(C)(C)C)c(C)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.35
NR1H3 Q13133 3/20 0.35
PRMT5 O14744 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR119 Q8TDV5 2/20 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
SCHEMBL24568636 0.78 ADORA3 (0.34)
SCHEMBL23970708 0.75 GRM5 (0.37) NR1H2NR1H3PRMT5TRPV3MEN1
SCHEMBL29642333 0.75 GRM5 (0.37) NR1H2NR1H3PRMT5TRPV3MEN1
SCHEMBL29642207 0.73 GPR119 (0.40) PRMT5MEN1KMT2AGPR119
SCHEMBL23971336 0.73 GPR119 (0.40) PRMT5MEN1KMT2AGPR119
SCHEMBL29642241 0.73 LMNA (0.36) NR1H2NR1H3
SCHEMBL23970707 0.73 LMNA (0.36) NR1H2NR1H3
SCHEMBL31233726 0.62 MAPK1 (0.44) PRMT5MEN1KMT2AGPR119
SCHEMBL31233725 0.62 MAPK1 (0.44) PRMT5MEN1KMT2AGPR119
SCHEMBL4783033 0.62 NR1H2 (0.53) NR1H2NR1H3

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed