SCHEMBL10198768

SCHEMBL10198768

CCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KIF11 P52732 8/20 0.51
LMNA P02545 4/20 0.51
SIRT1 Q96EB6 1/20 0.51
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL8404188 0.96 TP53 (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL11917335 0.96 TP53 (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL13049404 0.95 LMNA (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL11912547 0.95 LMNA (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL8403607 0.95 SIRT1 (0.52) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL13647309 0.94 SIRT1 (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL763497 0.94 SIRT1 (0.51) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL8403083 0.93 TP53 (0.53) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL11912532 0.93 TP53 (0.48) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL763760 0.93 TP53 (0.49) TP53MAPTSMN1; SMN2KIF11LMNA

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-2431369-A2 Carboline derivatives useful in the inhibition of angiogenesis PTC Therapeutics, Inc. (US) 2012-03-21 EP disclosed
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO disclosed