SCHEMBL23398374

SCHEMBL23398374

COc1ccc(-n2nc(C)c(O)c2-c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
DPP4 P27487 1/20 0.47
CCKAR P32238 3/20 0.44
RPA1 P27694 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
ACHE P22303 1/20 0.41
PDE5A O76074 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL23400569 0.88 MAPT (0.44) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23402448 0.88 L3MBTL1 (0.52) RAB9AMAPTLMNATSHRRPA1
SCHEMBL23399215 0.87 RAB9A (0.52) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23399875 0.86 MAPT (0.49) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23399186 0.85 MAPT (0.44) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23402686 0.85 CCKAR (0.48) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23401060 0.85 NPC1 (0.56) RAB9AMAPTLMNARPA1NPC1
SCHEMBL23402812 0.85 MAPT (0.48) RAB9ANPSR1MAPTLMNATSHR
SCHEMBL23400278 0.84 CFTR (0.49) RAB9ANPSR1LMNACCKARNPC1
SCHEMBL23398799 0.84 ALDH1A1 (0.51) RAB9AMAPTLMNARPA1NPC1

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