SCHEMBL8914900

SCHEMBL8914900

O=C(C=Cc1c[nH]nc1-c1cccc(F)c1)NC(Cc1ccccn1)c1cc(Cl)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 8/20 0.39
KLKB1 P03952 3/20 0.39
F10 P00742 2/20 0.39
PLG P00747 2/20 0.39
PLAT P00750 2/20 0.39
NOS2 P35228 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
CDC25B P30305 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8914891 1.00 F11 (0.39) F11KLKB1F10PLGPLAT
SCHEMBL8912655 0.82 MAPK1 (0.43) F11KLKB1F10PLGPLAT
SCHEMBL8912643 0.82 MAPK1 (0.43) F11KLKB1F10PLGPLAT
SCHEMBL8914267 0.74 MAPT (0.35) F11KLKB1F10PLGPLAT
SCHEMBL8914261 0.74 MAPT (0.35) F11KLKB1F10PLGPLAT
SCHEMBL8912952 0.68 TDO2 (0.46) KMT2AMEN1MAPT
SCHEMBL8912957 0.68 TDO2 (0.46) KMT2AMEN1MAPT
SCHEMBL8912941 0.68 RAB9A (0.34) F11KLKB1F10PLGPLAT
SCHEMBL8912946 0.68 RAB9A (0.34) F11KLKB1F10PLGPLAT
SCHEMBL8916315 0.64 DCAF1 (0.42) F11ADORA2AADORA1KMT2AMEN1

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
US-5606073-A INTERMEDIATES FOR ADENOSINE ANTAGONISTS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5541213-A ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS EISAI CO., LTD. (JP) 1996-07-30 US disclosed
EP-0630894-A1 Propenoic acid derivatives as adenosine A1 antagonists Eisai Co., Ltd. (JP) 1994-12-28 EP disclosed