SCHEMBL23401320

SCHEMBL23401320

CCCCc1c(-c2ccccc2C)nn(-c2ccccc2C)c1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.36
HSP90AA1 P07900 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
CDC25B P30305 1/20 0.33
HSD11B1 P28845 1/20 0.33
APLNR P35414 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL23401068 0.93 USP2 (0.38) TLR8HSP90AA1MAPTUSP2TP53
SCHEMBL23403396 0.88 TP53 (0.36) MAPTTP53ALDH1A1THRBMAPK1
SCHEMBL23402226 0.87 USP2 (0.45) TLR8MAPTUSP2TP53MAPK1
SCHEMBL23401593 0.87 ALDH1A1 (0.42) POLBL3MBTL1MAPTUSP2TP53
SCHEMBL23399363 0.85 ADORA3 (0.40) POLBL3MBTL1MAPTUSP2SMN1; SMN2
SCHEMBL23402551 0.85 DCTPP1 (0.39) TLR8POLBMAPTUSP2SMN1; SMN2
SCHEMBL23402728 0.83 POLB (0.38) HSP90AA1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL23402479 0.82 TLR8 (0.41) TLR8MAPTUSP2SMN1; SMN2ALDH1A1
SCHEMBL23402633 0.82 POLB (0.38) HSP90AA1POLBL3MBTL1MAPTUSP2
SCHEMBL23400568 0.82 DHODH (0.38) HSP90AA1POLBL3MBTL1MAPTSMN1; SMN2

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