SCHEMBL23402159

SCHEMBL23402159

COc1ccc(-n2c(=O)c(N)c(C(C)(C)C)n2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
BCHE P06276 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPBWR1 P48145 1/20 0.40
G6PD P11413 1/20 0.40
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
METAP2 P50579 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
SCHEMBL23403584 0.88 BCHE (0.53) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23399648 0.84 BCHE (0.50) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23400322 0.81 BCHE (0.58) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23403586 0.81 BCHE (0.58) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23402780 0.81 ALDH1A1 (0.43) MAPTBCHEPTGS2ALDH1A1HTT
SCHEMBL23401802 0.79 ALDH1A1 (0.44) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23402987 0.78 BCHE (0.47) LMNABCHEPTGS2ALDH1A1SMN1; SMN2
SCHEMBL23401456 0.78 MAPT (0.43) LMNAMAPTBCHEPTGS2ALDH1A1
SCHEMBL23401048 0.76 BCHE (0.54) LMNABCHEPTGS2ALDH1A1CYP1A2
SCHEMBL23400447 0.75 BCHE (0.45) LMNAMAPTBCHEPTGS2ALDH1A1

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