SCHEMBL9714625

SCHEMBL9714625

NC(O)=S.OC(=S)NN1CCC(N2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL3 Q96JM7 6/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
MBTD1 Q05BQ5 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL3074878 0.81 HTT (0.38) L3MBTL1MEN1KMT2ACYP2C19PHGDH
SCHEMBL6515029 0.79 HTT (0.37) PHGDHMGLL
SCHEMBL3066005 0.79 HTT (0.35) KDM4ECYP2D6CYP2C19
SCHEMBL9714622 0.79 L3MBTL3 (0.38) KDM4EGAAL3MBTL3L3MBTL1MBTD1
Ammonia Solution, Strong SCHEMBL28405557 0.77 HTT (0.34) LMNA
SCHEMBL7758216 0.77 HTT (0.34)
SCHEMBL3268930 0.77 L3MBTL3 (0.46) KDM4EGAAL3MBTL3L3MBTL1MBTD1
SCHEMBL10897991 0.74 HTT (0.42) KDM4EL3MBTL1MEN1KMT2ACYP2D6
SCHEMBL3071699 0.74 HTT (0.42) KDM4EL3MBTL1MEN1KMT2ACYP2D6
SCHEMBL8718776 0.74 PHGDH (0.39) GAACYP2C19PHGDHMGLL

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-1992010214-A1 METHOD OF RADIOACTIVE LABELLING OF BLOOD CELLS AND KIT THEREFOR MALLINCKRODT MEDICAL, INC. (US) 1992-06-25 WO disclosed