SCHEMBL16299586

SCHEMBL16299586

CC#CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCC(O)CN(C)CCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIF11 P52732 10/20 0.42
LMNA P02545 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
THRB P10828 1/20 0.39
SIRT1 Q96EB6 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
SCHEMBL763780 0.94 TP53 (0.42) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11912413 0.90 TP53 (0.46) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL8404053 0.90 TP53 (0.43) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL11912403 0.89 KIF11 (0.48) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8404050 0.87 TP53 (0.43) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL763841 0.87 TP53 (0.45) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL8404052 0.85 TP53 (0.42) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL764736 0.85 LMNA (0.44) TP53MAPTSMN1; SMN2KIF11LMNA
SCHEMBL763995 0.85 TP53 (0.42) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8404058 0.84 KIF11 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed