SCHEMBL16299515

SCHEMBL16299515

CCCCC(=O)N1CCc2c([nH]c3ccc(Br)cc23)C1c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
KIF11 P52732 4/20 0.59
ABCG2 Q9UNQ0 5/20 0.54
ABCB1 P08183 4/20 0.54

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
SCHEMBL16313346 0.93 KIF11 (0.64) TP53SMN1; SMN2LMNAKIF11ABCG2
SCHEMBL763430 0.88 TP53 (0.61) TP53SMN1; SMN2LMNAMAPTKIF11
SCHEMBL8402617 0.86 TP53 (0.61) TP53SMN1; SMN2LMNAMAPTKIF11
SCHEMBL764898 0.86 TP53 (0.66) TP53SMN1; SMN2LMNAMAPTKIF11
SCHEMBL16358492 0.86 KIF11 (0.56) TP53SMN1; SMN2LMNAKIF11ABCG2
SCHEMBL18689207 0.85 LMNA (0.75) TP53LMNAMAPTABCG2ABCB1
SCHEMBL13882354 0.84 LMNA (0.73) TP53LMNAMAPTABCG2ABCB1
SCHEMBL16299585 0.83 KIF11 (0.63) TP53SMN1; SMN2LMNAKIF11
SCHEMBL3344853 0.81 TP53 (0.59) TP53SMN1; SMN2LMNAMAPTKIF11
SCHEMBL3342885 0.81 TP53 (0.59) TP53SMN1; SMN2LMNAMAPTKIF11

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