SCHEMBL9060515

SCHEMBL9060515

O=S(=O)(CF)Nc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ MDM2 Q00987 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL9202532 0.84 HPGD (0.50) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL21755120 0.81 HPGD (0.73) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL12846933 0.78 CA2 (0.52) HPGDKMT2AALDH1A1LMNAMEN1
SCHEMBL4613867 0.76 HPGD (0.62) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL14241688 0.75 ALDH1A1 (0.53) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL4614381 0.73 HPGD (0.77) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL7023386 0.73 HPGD (0.55) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL27673209 0.71 ALDH1A1 (0.50) L3MBTL1HPGDMAPTKMT2AALDH1A1
SCHEMBL27953545 0.71 CA1 (0.60) ALDH1A1CTSDKIF11
SCHEMBL1423573 0.71 KEAP1 (0.60) L3MBTL1HPGDMAPTKMT2AALDH1A1

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-1996008502-A1 PREPARATION OF (8S)-8-FLUOROERYTHROMYCINS WITH N-F FLUORINATING AGENTS ALLIEDSIGNAL INC. (US) 1996-03-21 — — WO disclosed
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