SCHEMBL16299562

SCHEMBL16299562

Nc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.52
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT1 Q96EB6 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL12835067 0.95 KIF11 (0.48) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL764165 0.95 KIF11 (0.48) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL23316796 0.95 KIF11 (0.48) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL8404300 0.92 TP53 (0.55) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL13049294 0.90 KIF11 (0.55) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL765217 0.89 KIF11 (0.60) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL11912868 0.88 TP53 (0.49) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL765116 0.88 TP53 (0.49) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL11912927 0.87 TP53 (0.47) KIF11TP53MAPTSMN1; SMN2SIRT1
SCHEMBL9961994 0.87 KIF11 (0.48) KIF11TP53MAPTSMN1; SMN2SIRT1

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