SCHEMBL16358486

SCHEMBL16358486

Oc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=S)Nc2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KIF11 P52732 11/20 0.49
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL764773 0.90 TP53 (0.63) MAPTTP53SMN1; SMN2HTR2AHTR2C
SCHEMBL8403219 0.84 MAPT (0.67) MAPTTP53SMN1; SMN2KIF11HTR2A
SCHEMBL764816 0.82 TP53 (0.49) MAPTTP53KIF11HTR2AHTR2C
SCHEMBL8403217 0.81 TP53 (0.60) MAPTTP53SMN1; SMN2KIF11ABCB1
SCHEMBL763499 0.81 TP53 (0.61) MAPTTP53SMN1; SMN2HTR2AHTR2C
SCHEMBL8403288 0.80 TP53 (0.61) MAPTTP53SMN1; SMN2KIF11HTR2A
SCHEMBL8404164 0.80 TP53 (0.60) MAPTTP53SMN1; SMN2KIF11ABCB1
SCHEMBL8402844 0.79 TP53 (0.79) MAPTTP53SMN1; SMN2ABCB1ABCG2
SCHEMBL13049857 0.79 TP53 (0.57) MAPTTP53SMN1; SMN2KIF11HTR2A
SCHEMBL8404177 0.79 TP53 (0.59) MAPTTP53SMN1; SMN2KIF11ABCB1

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