SCHEMBL5535962

SCHEMBL5535962

O=S(=O)(n1ccnc1-c1ccccc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
LIMK2 P53671 1/20 0.36
KDR P35968 6/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MET P08581 1/20 0.36
PLAA Q9Y263 1/20 0.35
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL24696570 0.81 ESR1 (0.45) ESR1LIMK2KDRMETPLAA
SCHEMBL29023643 0.77 ESR1 (0.49) ESR1LIMK2KDRPLAAFLT1
SCHEMBL8636455 0.77 ESR1 (0.45) ESR1LIMK2KDRPTGS2PTGS1
SCHEMBL723626 0.76 MET (0.51) ESR1LIMK2METHTR6ALDH1A1
SCHEMBL23701634 0.75 KMT2A (0.41) CA12CA1CA2CA9KDM4E
Trifluoromethanesulfonic Acid SCHEMBL28185810 0.75 HDAC4 (0.47) ESR1KDM4E
SCHEMBL18040298 0.73 HTR6 (0.46) METHTR6
SCHEMBL11623898 0.72 ESR1 (0.42) ESR1KDRPLAAFLT1FLT4
SCHEMBL28303263 0.71 L3MBTL1 (0.54) METCA1CA2KDM4EALDH1A1
SCHEMBL21493577 0.70 MCL1 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO claimed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed