SCHEMBL23316796

SCHEMBL23316796

O=C(Oc1ccc(Cl)cc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC[C@H]2CO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.48
MAPT P10636 4/20 0.48
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SIRT1 Q96EB6 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
SCHEMBL12835067 1.00 KIF11 (0.48) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL764165 1.00 KIF11 (0.48) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL16299562 0.95 KIF11 (0.52) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL8404300 0.95 TP53 (0.55) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL11912927 0.92 TP53 (0.47) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL9961994 0.92 KIF11 (0.48) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL765116 0.91 TP53 (0.49) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL11912868 0.91 TP53 (0.49) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL764907 0.91 MAPT (0.45) KIF11MAPTTP53SMN1; SMN2ABCG2
SCHEMBL9962079 0.90 SIRT1 (0.46) KIF11MAPTTP53SMN1; 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-2434891-B9 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS INC (US) 2021-05-05 EP disclosed