SCHEMBL16299576

SCHEMBL16299576

O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(I)cc23)C1c1ccc(OCCCN2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
KIF11 P52732 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL8403103 0.94 MAPT (0.47) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL8403105 0.93 MAPT (0.46) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL764992 0.92 MEN1 (0.48) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL8403987 0.91 HRH3 (0.48) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL764994 0.91 MEN1 (0.49) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL12981333 0.90 KIF11 (0.45) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL8404039 0.90 HRH3 (0.50) MAPTTP53SMN1; SMN2KIF11MEN1
SCHEMBL9962254 0.89 MAPT (0.47) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL10086591 0.89 KIF11 (0.50) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL8404276 0.88 TP53 (0.48) ABCG2MAPTLMNATP53SMN1; 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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed