SCHEMBL8057283

SCHEMBL8057283

COC(=O)c1cc2c(cc1C)N(C)C(C)(C)S2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 4/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL8062771 0.80 ALDH1A1 (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8058184 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL8060643 0.73 KDM4E (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8060757 0.73 KDM4E (0.37) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8056874 0.72 ALDH1A1 (0.35) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8060788 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL8056966 0.71 HSD17B10 (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8057305 0.71 ALDH1A1 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8063063 0.70 KDM4E (0.36) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL8045168 0.69 KDM4E (0.35) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed