SCHEMBL4010824

SCHEMBL4010824

O=C(N[C@@]1(S(=O)(=O)c2ccc3ccccc3c2)CCCNC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK3 Q9NZJ5 1/20 0.46
AKR1C3 P42330 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
AKR1C1 Q04828 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCOLN3 Q8TDD5 2/20 0.37
TSHR P16473 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
SCHEMBL4307013 0.84 MMP2 (0.39) HTTNPSR1TSHRRAB9ASLC6A2
SCHEMBL4005213 0.84 MAPT (0.40) PKMNPC1RAB9ASMN1; SMN2ENPP3
SCHEMBL4009267 0.84 HSD11B1 (0.39) GAAHTTNPC1RAB9A
SCHEMBL4002524 0.84 EPHX2 (0.48) GAANPSR1NPC1RAB9A
SCHEMBL4007565 0.83 POLB (0.45) PKMKDM4ECYP1A2
SCHEMBL4004677 0.83 KMT2A (0.47) HDAC3HDAC1HDAC2GAANPC1
SCHEMBL4004804 0.83 KMT2A (0.47) HDAC3HDAC1HDAC2GAANPC1
SCHEMBL4006598 0.83 NPSR1 (0.41) GAAHTTNPSR1RAB9ACYP2C19
SCHEMBL4006918 0.83 ALDH1A1 (0.45) GAANPSR1TSHRSMN1; SMN2ENPP3
SCHEMBL4006510 0.82 EPHX2 (0.47) GAAHTTNPC1RAB9ASMN1; SMN2

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 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