SCHEMBL4299977

SCHEMBL4299977

COc1ccccc1C(=O)N[C@]1(S(=O)(=O)c2cccc(Cl)c2C)CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
ITGB7 P26010 2/20 0.38
MEN1 O00255 1/20 0.38
PTGS2 P35354 1/20 0.38
TOP1 P11387 1/20 0.37

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 0.91 ITGB1 (0.36) POLBITGB1ITGA4ITGB7
SCHEMBL4010758 0.89 ALDH1A1 (0.37) KMT2AALDH1A1POLBITGB1ITGA4
SCHEMBL4000706 0.86 KMT2A (0.38) KMT2APOLBITGB1ITGA4ITGB7
SCHEMBL4005139 0.85 ABCB1 (0.38) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL4009205 0.85 ITGB1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL4002243 0.84 ALDH1A1 (0.37) KMT2AALDH1A1POLBCNR2MEN1
SCHEMBL4010548 0.83 HSD11B1 (0.38) ITGB1ITGA4ITGB7
SCHEMBL4006854 0.83 ALDH1A1 (0.37) ALDH1A1TOP1
SCHEMBL4006907 0.83 MEN1 (0.41) KMT2AALDH1A1FAAHCNR2MEN1
SCHEMBL4010793 0.81 GRM5 (0.42) KMT2AALDH1A1PTGS2

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 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