SCHEMBL13050342

SCHEMBL13050342

O=C(Cc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(CCCN2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
STAT3 P40763 1/20 0.60
MAPT P10636 5/20 0.52
KIF11 P52732 6/20 0.51
POLB P06746 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL12984288 0.92 LMNA (0.59) LMNASTAT3MAPTKIF11POLB
SCHEMBL13725813 0.88 LMNA (0.54) LMNASTAT3MAPTKIF11ABCG2
SCHEMBL16299546 0.85 MAPT (0.48) LMNASTAT3MAPTKIF11ABCG2
SCHEMBL10085945 0.82 MAPT (0.65) LMNAMAPTKIF11POLBABCG2
SCHEMBL8403110 0.81 MAPT (0.67) LMNAMAPTKIF11ABCG2TP53
SCHEMBL764244 0.80 LMNA (0.52) LMNASTAT3MAPTKIF11POLB
SCHEMBL11912475 0.80 ABCG2 (0.54) LMNASTAT3MAPTKIF11ABCG2
SCHEMBL764226 0.80 LMNA (0.51) LMNASTAT3MAPTKIF11POLB
SCHEMBL8404029 0.79 LMNA (0.51) LMNASTAT3MAPTKIF11POLB
SCHEMBL11912456 0.79 LMNA (0.52) LMNASTAT3MAPTKIF11ABCG2

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