SCHEMBL16299555

SCHEMBL16299555

COCCN(C)CC(O)COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)CCc2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.53
KIF11 P52732 5/20 0.48
TP53 P04637 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.43

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
SCHEMBL8404304 0.89 TP53 (0.45) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL763841 0.88 TP53 (0.45) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL763572 0.85 TP53 (0.51) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL16313253 0.85 TP53 (0.43) KIF11TP53SMN1; SMN2MAPT
SCHEMBL763780 0.84 TP53 (0.42) KIF11TP53SMN1; SMN2MAPT
SCHEMBL8404214 0.83 TP53 (0.46) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL16313317 0.83 LMNA (0.59) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL763956 0.82 TP53 (0.46) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL16359331 0.81 LMNA (0.43) LMNAKIF11TP53SMN1; SMN2MAPT
SCHEMBL8404209 0.80 TP53 (0.52) LMNAKIF11TP53SMN1; SMN2MAPT

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