SCHEMBL9809403

SCHEMBL9809403

Nc1cc(Cl)ccc1S(=O)(=O)CCOP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DDR1 Q08345 4/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL9809401 0.82 CA2 (0.49) CA2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL9341041 0.81 CA2 (0.43) CA2FLT1FLT4KDRALDH1A1
SCHEMBL9809407 0.81 CA2 (0.43) CA2FLT1FLT4KDRALDH1A1
SCHEMBL9809463 0.80 KYNU (0.44) CA2CYP2C9
SCHEMBL10391842 0.76 CA2 (0.33) CA2
SCHEMBL9338166 0.76 CA2 (0.45) CA2FLT1FLT4KDRALDH1A1
SCHEMBL15358107 0.72 DDR1 (0.46) CA2ALDH1A1ALOX15SMN1; SMN2HPGD
SCHEMBL11671080 0.71 PKM (0.51) CA2ALDH1A1SMN1; SMN2
SCHEMBL7622316 0.71 CTDSP1 (0.37) CA2ALDH1A1HPGDHSD17B10TSHR
SCHEMBL10411985 0.70 MMP2 (0.39) CA2ALDH1A1ALOX15HSD17B10CYP3A4

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
US-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed