SCHEMBL4551485

SCHEMBL4551485

CS(=O)(=O)N1CCC(=NOCc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
RORC P51449 7/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 2/20 0.40
RORA P35398 1/20 0.39
RORB Q92753 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4384762 0.80 HSD11B1 (0.46) ALDH1A1KDM4ETDP1RECQLCYP3A4
SCHEMBL4382904 0.77 LMNA (0.45) ALDH1A1KDM4EGAACYP2D6CYP2C19
SCHEMBL13588928 0.72 CARM1 (0.38) NPSR1RORCALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL4380931 0.71 CTSL (0.38) NPSR1RORCALDH1A1KDM4ETDP1
SCHEMBL4395579 0.70 KMT2A (0.51) ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL17986303 0.69 IDO1 (0.66) ALDH1A1KDM4ETDP1IDO1KMT2A
SCHEMBL4679010 0.69 IDO1 (0.56) NPSR1ALDH1A1KDM4ETDP1RECQL
SCHEMBL4390793 0.68 MEN1 (0.45) ALDH1A1GAACYP2C9CYP2C19KMT2A
SCHEMBL4379552 0.65 LMNA (0.52) ALDH1A1GAACYP2C9KMT2AMEN1
Hydrochloric Acid SCHEMBL9266923 0.65 IDO1 (0.43) ALDH1A1KDM4EIDO1CARM1PRMT6

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-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed