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Sugi Predict / Compounds / SCHEMBL10085564

SCHEMBL10085564

SCHEMBL10085564

CN1CCCC(COc2ccc(C3c4[nH]c5ccc(N)cc5c4CCN3C(=O)OCc3ccccc3Cl)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 9/20 0.46
▸ LMNA P02545 6/20 0.46
▸ KIF11 P52732 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ ABCB1 P08183 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
SCHEMBL763758 0.93 TP53 (0.47) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL765103 0.85 LMNA (0.48) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL10085962 0.84 TP53 (0.57) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL765087 0.83 TP53 (0.51) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL8404303 0.82 TP53 (0.48) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL765109 0.82 TP53 (0.51) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL764953 0.82 TP53 (0.49) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL8404035 0.81 TP53 (0.48) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL765106 0.81 TP53 (0.48) TP53LMNAKIF11SMN1; SMN2ABCG2
SCHEMBL8404299 0.81 TP53 (0.49) TP53LMNAKIF11SMN1; SMN2ABCG2

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