SCHEMBL4007565

SCHEMBL4007565

COc1cccc(S(=O)(=O)[C@]2(NC(=O)C3CCCCC3)CCCNC2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MMP3 P08254 1/20 0.40
MMP10 P09238 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
HTR6 P50406 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
SCHEMBL4005213 0.90 MAPT (0.40) PKMMMP3MMP10EPHX2
SCHEMBL4006094 0.88 EPHX2 (0.47) POLBPKMALDH1A1MMP3MMP10
SCHEMBL4002524 0.87 EPHX2 (0.48) MEN1KMT2AALDH1A1TP53EPHX2
SCHEMBL4003899 0.85 EPHX2 (0.49) MEN1KMT2AALDH1A1EPHX2
SCHEMBL4009267 0.85 HSD11B1 (0.39) MEN1KMT2AALDH1A1EPHX2
SCHEMBL4004308 0.85 KMT2A (0.48) MEN1KMT2AALDH1A1
SCHEMBL4007179 0.83 MCOLN3 (0.42) KMT2AALDH1A1CYP3A4EPHX2CYP1A2
SCHEMBL4010824 0.83 EIF2AK3 (0.46) PKMKDM4ECYP1A2
SCHEMBL4009421 0.83 CNR1 (0.48) KMT2AALDH1A1
SCHEMBL4006918 0.81 ALDH1A1 (0.45) POLBKMT2AALDH1A1TP53CYP3A4

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