SCHEMBL4005449

SCHEMBL4005449

Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C(c2ccccc2)c2ccccc2)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.37
ITGA4 P13612 3/20 0.37
ITGB7 P26010 3/20 0.37
POLB P06746 1/20 0.35
HSD11B1 P28845 12/20 0.35
HDAC4 P56524 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4010548 0.89 HSD11B1 (0.38) ITGB1ITGA4ITGB7HSD11B1HDAC4
SCHEMBL4009205 0.86 ITGB1 (0.38) ITGB1ITGA4ITGB7HSD11B1HDAC4
SCHEMBL4005617 0.84 ITGB1 (0.36) ITGB1ITGA4ITGB7POLBHSD11B1
SCHEMBL4011653 0.84 HSD11B1 (0.38) ITGB1ITGA4ITGB7POLBHSD11B1
SCHEMBL4010758 0.82 ALDH1A1 (0.37) ITGB1ITGA4ITGB7POLBHSD11B1
SCHEMBL4006571 0.82 HSD11B1 (0.43) HSD11B1
SCHEMBL4010678 0.81 HSD11B1 (0.45) HSD11B1
SCHEMBL4005139 0.81 ABCB1 (0.38) ITGB1ITGA4ITGB7HSD11B1MEN1
SCHEMBL4963553 0.81 ITGB1 (0.35) ITGB1ITGA4ITGB7HSD11B1HDAC4
SCHEMBL4010793 0.81 GRM5 (0.42) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed