SCHEMBL16299532

SCHEMBL16299532

Cc1ccc(OC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
STAT3 P40763 1/20 0.49
TP53 P04637 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIF11 P52732 8/20 0.43
SIRT1 Q96EB6 1/20 0.43
EPHX2 P34913 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL764244 0.96 LMNA (0.52) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL9961983 0.94 TP53 (0.50) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL9962000 0.93 LMNA (0.54) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL764226 0.93 LMNA (0.51) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL765020 0.93 TP53 (0.52) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL8404029 0.93 LMNA (0.51) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL9962170 0.92 LMNA (0.50) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL763442 0.92 LMNA (0.51) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL3340484 0.92 LMNA (0.53) LMNASTAT3TP53MAPTSMN1; SMN2
SCHEMBL11912507 0.91 TP53 (0.52) LMNASTAT3TP53MAPTSMN1; 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