SCHEMBL13049999

SCHEMBL13049999

CN(CCO)CCCCCCOc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
KIF11 P52732 10/20 0.44
ABCG2 Q9UNQ0 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.41
ABCB1 P08183 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
SCHEMBL9962198 0.91 TP53 (0.47) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL763810 0.90 TP53 (0.48) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL13050120 0.90 SIRT1 (0.49) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL9962063 0.89 MAPT (0.46) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL9962088 0.89 MAPT (0.46) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8403136 0.89 TP53 (0.49) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL9962097 0.89 KIF11 (0.49) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL9962023 0.89 KIF11 (0.49) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL8403290 0.88 KIF11 (0.50) TP53MAPTSMN1; SMN2SIRT1KIF11
SCHEMBL12979318 0.88 TP53 (0.45) TP53MAPTSMN1; SMN2SIRT1KIF11

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
WO-2010138706-A1 METHODS FOR TREATING BREAST CANCER PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed