SCHEMBL2729487

SCHEMBL2729487

CCc1nccc2c3cc(-c4cccc(C)c4)ccc3n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ICMT O60725 11/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
MAPK14 Q16539 2/20 0.38
MAP4K4 O95819 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 1/20 0.37
HASPIN Q8TF76 1/20 0.36

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
SCHEMBL2729484 0.87 BCHE (0.38) BCHEACHEHASPIN
SCHEMBL2729483 0.87 BCHE (0.38) BCHEACHEHASPIN
SCHEMBL2719938 0.83 LIMK1 (0.52) ICMT
SCHEMBL14425470 0.77 ICMT (0.47) BCHEACHEICMTMAP4K4SIRT2
SCHEMBL15312161 0.77 BCHE (0.44) BCHEACHEHASPIN
SCHEMBL2720296 0.76 ALKBH5 (0.49) BCHEACHEHASPIN
SCHEMBL28928549 0.74 ACHE (0.60) BCHEACHEHASPIN
SCHEMBL25785204 0.71 GPR3 (0.53) BCHEACHEICMT
SCHEMBL13564062 0.70 MAOB (0.47) ICMTMAPK14MAP4K4SIRT2
SCHEMBL23622439 0.68 RXFP1 (0.47) BCHEACHEICMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 EP disclosed
WO-2012059232-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A (CH) 2012-05-10 WO disclosed