SCHEMBL9286591

SCHEMBL9286591

COC1(c2cnc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)s2)CCOC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
CYP11B2 P19099 6/20 0.35
CYP11B1 P15538 5/20 0.35
CYP1A2 P05177 2/20 0.35
TRIM24 O15164 5/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9286587 1.00 ALOX5 (0.43) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9127947 1.00 ALOX5 (0.43) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9286597 1.00 ALOX5 (0.43) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9126981 0.88 ALOX5 (0.53) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL2107872 0.87 TRIM24 (0.34) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9230759 0.81 ALOX5 (0.41) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9125544 0.81 ALOX5 (0.57) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9098432 0.79 ALOX5 (0.42) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9098152 0.78 ALOX5 (0.43) ALOX5CYP11B2CYP11B1CYP1A2TRIM24
SCHEMBL9127043 0.74 ALOX5 (0.57) ALOX5CYP11B2CYP11B1CYP1A2TRIM24

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
WO-1995004055-A1 THIAZOLE DERIVATIVES AS LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1995-02-09 WO disclosed