SCHEMBL8377167

SCHEMBL8377167

FC(F)=C(F)CCSC1=NCCCS1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 5/20 0.35
POLB P06746 3/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX12 P18054 1/20 0.33
APOBEC3A P31941 1/20 0.33
KMT2A Q03164 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10363099 0.90 LMNA (0.41) KDM4ELMNAHPGDPOLBMEN1
SCHEMBL11597023 0.69 ALDH1A1 (0.37) LMNAHPGDNOS3NOS1NOS2
SCHEMBL6032777 0.69
SCHEMBL10363086 0.65 APEX1 (0.59) KDM4ELMNAPOLBKMT2AALDH1A1
SCHEMBL7023562 0.64 LMNA (0.40) LMNAHPGDPOLBMEN1ALOX12
SCHEMBL8906201 0.62 LMNA (0.44) LMNAHPGDPOLBMEN1ALOX12
SCHEMBL5991335 0.61
SCHEMBL13467062 0.61 HPGD (0.47) LMNAHPGDPOLBMEN1ALOX12
SCHEMBL8620972 0.61 KDM4E (0.41) KDM4ELMNAPOLBALDH1A1
SCHEMBL3289759 0.61

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
JP-11140063-A None JP disclosed
JP-H11140063-A 5,6-DIHYDRO-(4H)-1,3-THIAZINE DERIVATIVE, ITS PRODUCTION AND AGENT FOR CONTROLLING HARMFUL ORGANISM IN AGRICULTURE AND HORTICULTURE UBE IND LTD 1999-05-25 JP disclosed