SCHEMBL16299548

SCHEMBL16299548

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
ABCG2 Q9UNQ0 4/20 0.49
SIRT1 Q96EB6 1/20 0.48
ABCB1 P08183 1/20 0.47

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
SCHEMBL763677 0.91 LMNA (0.57) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL8404478 0.89 SIRT1 (0.55) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL8402724 0.89 KIF11 (0.55) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL763586 0.88 KIF11 (0.58) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL11912523 0.88 KIF11 (0.58) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL12589746 0.88 MAPT (0.54) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL764759 0.87 ABCG2 (0.58) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL764291 0.87 TP53 (0.61) KIF11MAPTTP53SMN1; SMN2MEN1
SCHEMBL763417 0.87 KIF11 (0.60) KIF11MAPTTP53MEN1LMNA
SCHEMBL763522 0.87 KIF11 (0.53) KIF11MAPTTP53SMN1; SMN2MEN1

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