SCHEMBL16359331

SCHEMBL16359331

CCOC(=O)N1CCc2c([nH]c3ccc(CI)cc23)C1c1ccc(OCC(O)CN(C)CCOC)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
TP53 P04637 8/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KIF11 P52732 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL763841 0.90 TP53 (0.45) LMNATP53MAPTTHRBPOLB
SCHEMBL763956 0.84 TP53 (0.46) LMNATP53MAPTTHRBPOLB
SCHEMBL8404304 0.84 TP53 (0.45) LMNATP53MAPTSMN1; SMN2KIF11
SCHEMBL763780 0.83 TP53 (0.42) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL763572 0.81 TP53 (0.51) LMNATP53MAPTSMN1; SMN2KIF11
SCHEMBL16299555 0.81 LMNA (0.53) LMNATP53MAPTSMN1; SMN2KIF11
SCHEMBL16359232 0.81 TP53 (0.49) LMNATP53MAPTTHRBPOLB
SCHEMBL16313253 0.81 TP53 (0.43) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL15086859 0.80 TP53 (0.47) LMNATP53MAPTTHRBPOLB
SCHEMBL13696190 0.80 TP53 (0.48) LMNATP53MAPTTHRBPOLB

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
WO-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO disclosed