SCHEMBL7944872

SCHEMBL7944872

C=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.49
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
CACNA1B Q00975 3/20 0.44
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.44
HSD11B1 P28845 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL7951897 0.88 KMT2A (0.61) KMT2AMEN1TP53GAAHPGD
SCHEMBL7955499 0.83 KMT2A (0.56) KMT2AMEN1TP53GAAHPGD
SCHEMBL14699675 0.83 KMT2A (0.56) KMT2AMEN1TP53GAAHPGD
SCHEMBL7950127 0.79 CNR1 (0.47) TP53GAAHPGDHTTCNR1
SCHEMBL7943392 0.79 CNR1 (0.47) TP53GAAHPGDHTTCNR1
SCHEMBL8095011 0.75 GAA (0.51) KMT2AGAAHPGDHTTCNR1
SCHEMBL1677064 0.75 TP53 (0.60) KMT2AMEN1TP53GAAHPGD
SCHEMBL7953960 0.75 HTR2A (0.47) KMT2AMEN1HSD11B1MAPT
SCHEMBL1677163 0.75 KMT2A (0.58) KMT2AMEN1TP53GAAHPGD
SCHEMBL1677096 0.73 TP53 (0.55) KMT2AMEN1TP53GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed