SCHEMBL23401677

SCHEMBL23401677

COc1ccc(-n2nc(O)c(C)c2-c2ccccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
RPA1 P27694 1/20 0.42
HPGD P15428 1/20 0.42
PDE5A O76074 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM1 Q13255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL23398764 0.86 DCTPP1 (0.42) HTTHIF1AHPGDL3MBTL1LMNA
SCHEMBL23401280 0.86 HIF1A (0.44) HIF1AHPGDL3MBTL1LMNAMAPT
SCHEMBL23401317 0.85 HPGD (0.42) HTTHIF1ARPA1HPGDPDE5A
SCHEMBL23402018 0.85 HPGD (0.42) HTTHIF1ARPA1HPGDPDE5A
SCHEMBL23402516 0.85 RPA1 (0.47) HTTHIF1ARPA1HPGDPDE5A
SCHEMBL23403375 0.84 NPC1 (0.47) HTTHIF1ARPA1HPGDLMNA
SCHEMBL23400388 0.83 L3MBTL1 (0.51) HTTRPA1HPGDL3MBTL1LMNA
SCHEMBL23400372 0.83 CYP1A2 (0.41) HTTHIF1ARPA1HPGDPDE5A
SCHEMBL23398381 0.83 RAB9A (0.44) HTTHIF1ARPA1HPGDL3MBTL1
SCHEMBL23402315 0.82 HIF1A (0.41) HTTHIF1ARPA1HPGDPDE5A

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