SCHEMBL16299595

SCHEMBL16299595

CCCCC(=O)N1CCc2c([nH]c3ccc(N)cc23)C1c1ccc(C(=O)N2CCC(NC(C)=O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.47
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
STAT3 P40763 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16299529 0.92 KIF11 (0.51) KIF11TP53SMN1; SMN2ABCB1ABCG2
SCHEMBL765030 0.80 KIF11 (0.50) KIF11TP53SMN1; SMN2ABCB1ABCG2
SCHEMBL16313346 0.75 KIF11 (0.64) KIF11TP53SMN1; SMN2ABCG2LMNA
SCHEMBL16358492 0.72 KIF11 (0.56) KIF11TP53SMN1; SMN2ABCG2LMNA
SCHEMBL16299515 0.71 TP53 (0.60) KIF11TP53SMN1; SMN2ABCB1ABCG2
SCHEMBL16299565 0.70 KIF11 (0.54) KIF11TP53SMN1; SMN2ABCG2LMNA
SCHEMBL18688857 0.70 MAPT (0.65) TP53ABCB1ABCG2LMNAMAPT
SCHEMBL16313320 0.69 KIF11 (0.50) KIF11TP53LMNAKDM4EMAPT
SCHEMBL18689206 0.68 LMNA (0.68) KIF11TP53ABCB1ABCG2STAT3
SCHEMBL18689296 0.67 LMNA (0.75) KIF11TP53SMN1; SMN2ABCG2LMNA

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