SCHEMBL23399583

SCHEMBL23399583

Cc1ccc(-n2nc(C)c(C(C)C)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KCNJ6 P48051 1/20 0.37

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
SCHEMBL23399794 0.86 LMNA (0.52) LMNAMAPTTDP1POLBALDH1A1
SCHEMBL23398710 0.85 ALDH1A1 (0.37) LMNAMAPTL3MBTL1TDP1POLB
SCHEMBL23400327 0.82 CYP1A2 (0.47) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL23399456 0.82 PTGS2 (0.40) LMNAMAPTL3MBTL1POLBALDH1A1
SCHEMBL23401495 0.81 ALDH1A1 (0.49) LMNAMAPTL3MBTL1TDP1ALDH1A1
SCHEMBL23402791 0.81 PDE4A (0.38) LMNAMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23401855 0.80 KDM4E (0.37) LMNAMAPTL3MBTL1POLBALDH1A1
SCHEMBL23401391 0.78 L3MBTL1 (0.44) LMNAMAPTL3MBTL1TDP1POLB
SCHEMBL23400899 0.76 MEN1 (0.41) LMNAMAPTL3MBTL1TDP1POLB
SCHEMBL23400176 0.76 ALDH1A1 (0.38) LMNAMAPTL3MBTL1TDP1POLB

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