SCHEMBL2171815

SCHEMBL2171815

[O]C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
LIPE Q05469 2/20 0.58
EPHX1 P07099 2/20 0.57
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.50
DPP4 P27487 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48

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
SCHEMBL1676915 0.88 EPHX2 (0.62) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL421636 0.86 EPHX2 (0.57) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL1677120 0.86 EPHX2 (0.57) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL424511 0.86 EPHX2 (0.60) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL7949461 0.86 HSD11B1 (0.60) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL29460579 0.86 MEN1 (0.62) EPHX2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20456429 0.84 USP2 (0.65) EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL18177501 0.84 ALDH1A1 (0.70) EPHX2MEN1KMT2ALIPENPC1
SCHEMBL27848166 0.83 MEN1 (0.55) EPHX2MEN1KMT2ALIPEEPHX1
SCHEMBL7955680 0.83 MEN1 (0.60) EPHX2MEN1KMT2ALIPEEPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed