SCHEMBL13199569

SCHEMBL13199569

O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC(O)CN2CCC(CCO)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KIF11 P52732 7/20 0.42
DRD4 P21917 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
KCNH2 Q12809 1/20 0.39
RECQL P46063 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
SCHEMBL8404298 0.91 TP53 (0.43) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL14236421 0.91 TP53 (0.43) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL764166 0.91 TP53 (0.45) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL9962002 0.89 LMNA (0.51) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL765012 0.89 LMNA (0.51) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL8404306 0.89 TP53 (0.46) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL9961998 0.89 LMNA (0.51) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL765014 0.89 TP53 (0.44) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL13199560 0.88 LMNA (0.47) LMNAMAPTTP53SMN1; SMN2KIF11
SCHEMBL9962076 0.88 MAPT (0.48) LMNAMAPTTP53SMN1; SMN2KIF11

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
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed
US-7767689-B2 Carboline derivatives useful in the treatment of cancer PTC THERAPEUTICS, INC. (US) 2010-08-03 US disclosed