SCHEMBL4006907

SCHEMBL4006907

COc1cccc(C(=O)N[C@]2(S(=O)(=O)c3cccc(Cl)c3C)CCCNC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
FAAH O00519 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 2/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 2/20 0.38
GRM5 P41594 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4013554 0.91 HDAC8 (0.40) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4002243 0.91 ALDH1A1 (0.37) MEN1KMT2ACNR2ALDH1A1RAB9A
SCHEMBL4009205 0.88 ITGB1 (0.38) MAPT
SCHEMBL4006080 0.87 CYP3A4 (0.39) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4009200 0.85 ABCB1 (0.40) MEN1KMT2AALDH1A1RAB9ALMNA
SCHEMBL4005126 0.84 HSD11B1 (0.34) ALDH1A1MAPTKDM4ECYP3A4GRM5
SCHEMBL3999745 0.83 FPR2 (0.39) ALDH1A1MAPTCYP3A4GRM5LMNA
SCHEMBL4299977 0.83 KMT2A (0.39) MEN1KMT2AFAAHCNR2ALDH1A1
SCHEMBL4004170 0.83 MAPT (0.39) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4010548 0.83 HSD11B1 (0.38)

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