Sugi Predict

Sugi Predict / Compounds / SCHEMBL16358487

SCHEMBL16358487

SCHEMBL16358487

COCCN(CCCOC1=CC=C(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)CC1)CCOC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.42
▸ KIF11 P52732 14/20 0.41
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.37

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
SCHEMBL8404210 0.88 TP53 (0.48) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL16299521 0.88 KIF11 (0.48) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL765021 0.84 TP53 (0.55) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL16359684 0.82 KIF11 (0.42) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL9962088 0.82 MAPT (0.46) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL9962063 0.82 MAPT (0.46) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL9962026 0.81 TP53 (0.52) KIF11TP53MAPTSMN1; SMN2ABCG2
SCHEMBL16359685 0.81 KIF11 (0.41) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL763810 0.81 TP53 (0.48) SIRT1KIF11TP53MAPTSMN1; SMN2
SCHEMBL9962093 0.81 TP53 (0.47) SIRT1KIF11TP53MAPTSMN1; SMN2

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-2008127714-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 — — WO disclosed