SCHEMBL6461635

SCHEMBL6461635

NC(=O)C(F)SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.54
IDO1 P14902 3/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
POLB P06746 1/20 0.43
CYP2C19 P33261 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
SCHEMBL7080143 0.81 EPHX1 (0.53) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL27633675 0.81 EPHX1 (0.59) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL7106175 0.78 EPHX1 (0.50) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL7873176 0.78 EPHX1 (0.70) EPHX1POLB
SCHEMBL7396452 0.78 EPHX1 (0.70) EPHX1POLB
SCHEMBL11204748 0.75 EPHX1 (0.55) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL6807037 0.74 EPHX1 (0.47) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL3922984 0.73 IDO1 (0.41) EPHX1IDO1NOS3NOS1NOS2
SCHEMBL6954426 0.72 PPARG (0.49) EPHX1IDO1POLBCYP2C19
SCHEMBL9854865 0.71 ALDH1A1 (0.49) EPHX1IDO1NOS3NOS1NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608643-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2005-12-28 EP disclosed
WO-2004083204-A1 6-SULFONAMIDE QUINOLINE AND CHROMENE DERIVATIVE AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-09-30 WO disclosed