SCHEMBL12835007

SCHEMBL12835007

Bc1ccc2[nH]c3c(c2c1)CCN(C(=O)Oc1ccc(Cl)cc1)C3c1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KIF11 P52732 5/20 0.48
ABCG2 Q9UNQ0 8/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCB1 P08183 4/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8403047 0.93 KIF11 (0.55) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL12984720 0.91 TP53 (0.59) TP53MAPTSMN1; SMN2ABCG2LMNA
SCHEMBL763650 0.91 KIF11 (0.52) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL765213 0.90 ABCG2 (0.54) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL14041751 0.89 KIF11 (0.56) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL14236297 0.88 MAPT (0.51) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403050 0.86 ABCG2 (0.57) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL13049882 0.86 LMNA (0.46) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL12982597 0.84 TP53 (0.44) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL764777 0.84 TP53 (0.55) TP53MAPTSMN1; SMN2KIF11ABCG2

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