SCHEMBL23912248

SCHEMBL23912248

CCc1nc2cccc(OCC(=O)OC(C)C)c2c(=O)n1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR7 P34969 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
BLM P54132 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE10A Q9Y233 1/20 0.40
PIK3R1 P27986 1/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL17458125 0.85 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL17458123 0.85 PIK3CD (0.64) PIK3CDPIK3R1
SCHEMBL23912244 0.80 PIK3CD (0.57) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL23912255 0.78 PIK3CD (0.54) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL17458013 0.78 PIK3CD (0.61) PIK3CDPIK3R1
SCHEMBL17458017 0.78 PIK3CD (0.61) PIK3CDPIK3R1
SCHEMBL17235505 0.75 ESR1 (0.60) SMN1; SMN2ALDH1A1L3MBTL1MAPTMEN1
SCHEMBL20404396 0.75 PIK3CD (0.57) PIK3CDSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL23912309 0.75 HRH3 (0.60) PIK3CDALDH1A1MEN1KMT2AKCNH2
SCHEMBL23912241 0.75 HRH3 (0.60) PIK3CDALDH1A1MEN1KMT2AKCNH2

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-3160960-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2021-10-13 EP disclosed