SCHEMBL16299558

SCHEMBL16299558

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KIF11 P52732 8/20 0.47
ABCG2 Q9UNQ0 5/20 0.45
ABCB1 P08183 2/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL8403179 0.87 KIF11 (0.47) TP53KIF11ABCG2ABCB1MAPT
SCHEMBL8404494 0.83 MAPT (0.46) TP53KIF11ABCG2MAPTSMN1; SMN2
SCHEMBL8403149 0.82 LMNA (0.50) TP53KIF11MAPTSMN1; SMN2LMNA
SCHEMBL8403206 0.82 ATM (0.49) KIF11MAPTSMN1; SMN2KDM4E
SCHEMBL763597 0.81 MAPT (0.46) TP53KIF11ABCG2MAPTSMN1; SMN2
SCHEMBL763417 0.81 KIF11 (0.60) TP53KIF11ABCG2ABCB1MAPT
SCHEMBL763677 0.81 LMNA (0.57) TP53KIF11ABCG2MAPTSMN1; SMN2
SCHEMBL12835223 0.81 MAPT (0.46) TP53KIF11ABCG2MAPTSMN1; SMN2
SCHEMBL8403215 0.81 LMNA (0.49) TP53KIF11MAPTSMN1; SMN2LMNA
SCHEMBL8403113 0.81 ALDH1A1 (0.50) TP53KIF11ABCG2MAPTSMN1; SMN2

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