SCHEMBL21177883

SCHEMBL21177883

[O-][S+](C/[C]=C/Cc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
PTPRG P23470 1/20 0.35
IDO1 P14902 4/20 0.34
PDPK1 O15530 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NPC1 O15118 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 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
SCHEMBL21177849 1.00 SIGMAR1 (0.37) SIGMAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21177721 0.84 TDP1 (0.35) SIGMAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21177578 0.83 MEN1 (0.39) SLC6A4SMN1; SMN2ALDH1A1CCR2MEN1
SCHEMBL21177852 0.83 MEN1 (0.39) SLC6A4SMN1; SMN2ALDH1A1CCR2MEN1
SCHEMBL21177746 0.83 ADORA2A (0.38) SLC6A4LMNACCR2MEN1KMT2A
SCHEMBL21177566 0.83 ADORA2A (0.38) SLC6A4LMNACCR2MEN1KMT2A
SCHEMBL21178060 0.82 MAOB (0.39) TP53
SCHEMBL21177879 0.78 PLAAT3 (0.32) PLAAT3PLAAT5PLAAT2PLAAT4IDO1
SCHEMBL21177912 0.78 PLAAT3 (0.32) PLAAT3PLAAT5PLAAT2PLAAT4IDO1
SCHEMBL21177855 0.75 LTA4H (0.42) SIGMAR1PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143142-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING GLIOBLASTOMA 숙명여자대학교 산학협력단 2019-07-25 WO claimed
WO-2019143143-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS 숙명여자대학교 산학협력단 2019-07-25 WO claimed
WO-2019143143-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROBLASTOMA OR RHEUMATOID ARTHRITIS 숙명여자대학교 산학협력단 2019-07-25 WO disclosed
WO-2019143142-A1 NOVEL PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING GLIOBLASTOMA 숙명여자대학교 산학협력단 2019-07-25 WO disclosed