SCHEMBL28515181

SCHEMBL28515181

F[B-](F)(F)F.O=S(=O)(O)CCCN1c2ccccc2SC1S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ POLB P06746 5/20 0.38
▸ MMP13 P45452 4/20 0.38
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HPGD P15428 5/20 0.35
▸ ALOX15 P16050 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 3/20 0.33
▸ ALPG P10696 2/20 0.33
▸ AVPR2 P30518 1/20 0.33

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
SCHEMBL28511883 0.95 MEN1 (0.40) MAPTMEN1KMT2APOLBMMP13
Sulfuric Acid SCHEMBL28528641 0.94 MEN1 (0.39) MAPTMEN1KMT2APOLBMMP13
SCHEMBL28523723 0.91 MAPT (0.37) MAPTMEN1KMT2APOLBMMP13
SCHEMBL28522891 0.85 MAPT (0.37) MAPTMEN1KMT2APOLBMMP13
SCHEMBL3326021 0.79 MEN1 (0.42) MAPTMEN1KMT2APOLBMMP13
SCHEMBL15494050 0.76 MEN1 (0.40) MAPTMEN1KMT2APOLBMMP13
SCHEMBL6834722 0.75 MEN1 (0.39) MAPTMEN1KMT2APOLBMMP13
SCHEMBL3324713 0.75 MEN1 (0.38) MAPTMEN1KMT2APOLBMMP13
SCHEMBL18779843 0.74 MAPT (0.37) MAPTMEN1KMT2APOLBMMP13
SCHEMBL11547668 0.72 GSK3B (0.40) ALDH1A1LMNAKDM4E

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
CN-108570019-B Acidic ionic liquid and catalytic application thereof 大连理工大学 2021-02-26 — — CN disclosed
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