SCHEMBL9714622

SCHEMBL9714622

S=C(S)NN1CCC(N2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
MBTD1 Q05BQ5 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 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
SCHEMBL2237010 0.80 ALDH1A1 (0.43) L3MBTL1PHGDHMGLLKDM4ECYP2D6
SCHEMBL27573998 0.80 ALDH1A1 (0.43) L3MBTL1PHGDHMGLLKDM4ECYP2D6
SCHEMBL9714625 0.79 KDM4E (0.36) L3MBTL3L3MBTL1MBTD1MEN1KMT2A
SCHEMBL27609156 0.78 ALDH1A1 (0.42) L3MBTL1PHGDHMGLLKDM4ECYP2D6
SCHEMBL31283176 0.77 ALDH1A1 (0.46) MGLLKDM4ECYP2D6CYP2C19
SCHEMBL221278 0.77
SCHEMBL3268930 0.76 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1MEN1KMT2A
SCHEMBL10402992 0.76 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL454175 0.75 ALDH1A1 (0.48) KDM4ECYP2D6CYP2C19
Potassium SCHEMBL7562143 0.75 ALDH1A1 (0.43) KDM4ECYP2D6CYP2C19

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