SCHEMBL12978490

SCHEMBL12978490

C=Cc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIF11 P52732 10/20 0.45
SIRT1 Q96EB6 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
LMNA P02545 2/20 0.41
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
SCHEMBL9962023 0.93 KIF11 (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962097 0.93 KIF11 (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL16299541 0.92 TP53 (0.48) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9961992 0.91 ABCG2 (0.51) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL13050120 0.90 SIRT1 (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9961995 0.90 TP53 (0.55) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962022 0.90 TP53 (0.56) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL16299549 0.89 KIF11 (0.51) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL8403290 0.89 KIF11 (0.50) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL13049027 0.88 TP53 (0.47) TP53MAPTSMN1; SMN2KIF11SIRT1

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-2010138695-A1 METHODS FOR TREATING NEUROFIBROMATOSIS PTC THERAPEUTICS, INC. (US) 2010-12-02 WO disclosed