SCHEMBL9869923

SCHEMBL9869923

CC1(C)Oc2ccc(S(=O)(=O)c3ccccc3)cc2[C@@H](O)[C@@H]1Br

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.52
IDO1 P14902 1/20 0.43
KCNA5 P22460 5/20 0.40
KCNE1 P15382 5/20 0.38
KCNQ1 P51787 5/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9869911 1.00 ABCC9 (0.52) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL9203130 1.00 ABCC9 (0.52) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL9293533 0.90 ABCC9 (0.44) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL9294518 0.85 KCNE1 (0.47) ABCC9KCNE1KCNQ1
SCHEMBL9194923 0.84 KCNE1 (0.42) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL9194935 0.84 KCNE1 (0.42) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL9194930 0.84 KCNE1 (0.42) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL7867829 0.83 IDO1 (0.40) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL7867831 0.83 IDO1 (0.40) ABCC9IDO1KCNA5KCNE1KCNQ1
SCHEMBL7867830 0.83 IDO1 (0.40) ABCC9IDO1KCNA5KCNE1KCNQ1

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
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed