SCHEMBL13199448

SCHEMBL13199448

CC(=O)N1CCN(CC(O)COc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KIF11 P52732 9/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8403095 0.96 TP53 (0.44) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8403512 0.94 TP53 (0.51) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL763454 0.92 TP53 (0.44) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8404306 0.89 TP53 (0.46) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8403566 0.89 TP53 (0.47) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL764166 0.89 TP53 (0.45) TP53MAPTSMN1; SMN2KIF11POLB
SCHEMBL9962258 0.89 TP53 (0.47) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8404298 0.87 TP53 (0.43) TP53MAPTSMN1; SMN2KIF11POLB
SCHEMBL14236421 0.87 TP53 (0.43) TP53MAPTSMN1; SMN2KIF11POLB
SCHEMBL763995 0.87 TP53 (0.42) TP53MAPTSMN1; SMN2SIRT1KIF11

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 3 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
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed