SCHEMBL23316801

SCHEMBL23316801

N#CCOc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.51
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KIF11 P52732 10/20 0.46
SIRT1 Q96EB6 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9962163 1.00 ABCG2 (0.51) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962158 0.95 MAPT (0.49) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962229 0.95 MAPT (0.49) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962166 0.92 TP53 (0.56) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962164 0.92 TP53 (0.54) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL12978946 0.90 ABCG2 (0.53) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL11912520 0.88 ABCG2 (0.51) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL11912768 0.88 TP53 (0.50) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962161 0.88 ABCG2 (0.49) ABCG2TP53MAPTSMN1; SMN2KIF11
SCHEMBL9962196 0.87 MAPT (0.49) ABCG2TP53MAPTSMN1; SMN2KIF11

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