SCHEMBL4010758

SCHEMBL4010758

Cc1ccccc1C(=O)N[C@]1(S(=O)(=O)c2cccc(Cl)c2C)CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
HSD11B1 P28845 6/20 0.35
CYP2C9 P11712 1/20 0.34
DHODH Q02127 1/20 0.34
MT-CO2 P00403 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4005617 0.94 ITGB1 (0.36) ITGB1ITGA4ITGB7HSD11B1MT-CO2
SCHEMBL4000706 0.90 KMT2A (0.38) ITGB1ITGA4ITGB7HSD11B1POLB
SCHEMBL4299977 0.89 KMT2A (0.39) ALDH1A1ITGB1ITGA4ITGB7MEN1
SCHEMBL4005139 0.89 ABCB1 (0.38) ALDH1A1ITGB1ITGA4ITGB7HSD11B1
SCHEMBL4009205 0.88 ITGB1 (0.38) ITGB1ITGA4ITGB7HSD11B1MAPT
SCHEMBL4010548 0.87 HSD11B1 (0.38) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL4010793 0.85 GRM5 (0.42) ALDH1A1MAPK1KMT2A
SCHEMBL4003450 0.84 HCRTR1 (0.36) ITGB1ITGA4ITGB7HSD11B1CYP2C9
SCHEMBL4006854 0.84 ALDH1A1 (0.37) ALDH1A1HSD11B1MT-CO2MAPT
SCHEMBL4011653 0.84 HSD11B1 (0.38) ITGB1ITGA4ITGB7HSD11B1POLB

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 6 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
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed