SCHEMBL23316779

SCHEMBL23316779

C#CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)OC2=CC=C(Cl)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KIF11 P52732 10/20 0.45
SIRT1 Q96EB6 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL9962196 0.90 MAPT (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL12978466 0.84 TP53 (0.45) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL16302704 0.82 TP53 (0.44) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962199 0.82 MAPT (0.48) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962158 0.82 MAPT (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962229 0.82 MAPT (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL764639 0.81 TP53 (0.49) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL9962197 0.81 MAPT (0.47) TP53MAPTSMN1; SMN2KIF11SIRT1
SCHEMBL765111 0.80 TP53 (0.59) TP53MAPTSMN1; SMN2KIF11ABCG2
SCHEMBL8403050 0.80 ABCG2 (0.57) TP53MAPTSMN1; SMN2KIF11SIRT1

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