SCHEMBL4001806

SCHEMBL4001806

N#Cc1ccccc1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
KMT2A Q03164 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
EPHX2 P34913 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL4292846 0.83 EPHX2 (0.45) EPHX2
SCHEMBL4005033 0.82 EPHX2 (0.35) KMT2ACTSSCTSLCTSBEPHX2
SCHEMBL4006938 0.82 L3MBTL1 (0.39) KMT2ACTSSEPHX2ALDH1A1CYP1A2
SCHEMBL4007179 0.81 MCOLN3 (0.42) KMT2AEPHX2LMNAALDH1A1CYP1A2
SCHEMBL4006999 0.81 EPHX2 (0.47) KMT2AEPHX2LMNAALDH1A1HTT
SCHEMBL4009618 0.80 PKM (0.40) EPHX2HPGDNPC1CYP2D6RAB9A
SCHEMBL4010678 0.80 HSD11B1 (0.45) EPHX2LMNARAB9ASMN1; SMN2HSD11B1
SCHEMBL4003470 0.80 CTSS (0.39) CTSSEPHX2LMNASMN1; SMN2AKR1C3
SCHEMBL4006571 0.79 HSD11B1 (0.43) LMNARAB9ASMN1; SMN2HSD11B1
SCHEMBL4005701 0.78 CXCR2 (0.36) ATMKMT2ACTSSCTSLCTSB

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