SCHEMBL4306301

SCHEMBL4306301

O=C(N[C@]1(S(=O)(=O)c2cccs2)CCCNC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4005701 0.81 CXCR2 (0.36) EPHX2HPGDALDH1A1MEN1KMT2A
SCHEMBL4010564 0.80 EPHX2 (0.35) EPHX2HPGDALDH1A1MEN1KMT2A
SCHEMBL4006918 0.78 ALDH1A1 (0.45) EPHX2HPGDALDH1A1KMT2ARECQL
SCHEMBL4004804 0.78 KMT2A (0.47) EPHX2ALDH1A1RAB9ANPC1MEN1
SCHEMBL4004677 0.78 KMT2A (0.47) EPHX2ALDH1A1RAB9ANPC1MEN1
SCHEMBL4006598 0.78 NPSR1 (0.41) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL4002524 0.77 EPHX2 (0.48) EPHX2ALDH1A1RAB9ANPC1MEN1
SCHEMBL4009267 0.77 HSD11B1 (0.39) EPHX2ALDH1A1RAB9ANPC1MEN1
SCHEMBL4010824 0.77 EIF2AK3 (0.46) RAB9ANPC1KDM4EPKM
SCHEMBL4292846 0.77 EPHX2 (0.45) EPHX2

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