SCHEMBL7340925

SCHEMBL7340925

N=C(N)c1ccc2cc(OC(=O)c3ccc(CN)cc3)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 9/20 0.66
PRSS1 P07477 6/20 0.66
F2 P00734 4/20 0.66
ST14 Q9Y5Y6 3/20 0.66
PLG P00747 3/20 0.66
F10 P00742 3/20 0.66
C1R P00736 2/20 0.66
KLK1 P06870 2/20 0.66
TMPRSS2 O15393 1/20 0.66
MLNR O43193 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
ITGB3 P05106 1/20 0.66
HPN P05981 1/20 0.66
CHRM2 P08172 1/20 0.66
ITGA2B P08514 1/20 0.66
C1S P09871 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
MAPT P10636 1/20 0.66
CHRM1 P11229 1/20 0.66

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
SCHEMBL7345696 0.93 FTO (0.70) F12PRSS1F2ST14PLG
SCHEMBL31380450 0.88 F12 (0.76) F12PRSS1F2ST14PLG
SCHEMBL18720251 0.85 F12 (0.62) F12PRSS1F2ST14PLG
SCHEMBL21098388 0.85 F12 (0.58) F12PRSS1F2ST14PLG
SCHEMBL18720221 0.84 F12 (0.60) F12PRSS1F2ST14PLG
SCHEMBL7338848 0.84 F12 (0.71) F12PRSS1F2ST14PLG
SCHEMBL7337750 0.84 F12 (0.71) F12PRSS1F2ST14PLG
SCHEMBL7342376 0.84 F12 (0.71) F12PRSS1F2ST14PLG
SCHEMBL20008753 0.84 PRSS1 (0.63) F12PRSS1F2ST14PLG
Hydrochloric Acid SCHEMBL7285755 0.82 PRSS1 (0.60) F12PRSS1F2ST14PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 EP claimed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 US claimed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 EP claimed
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 EP disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 US disclosed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 EP disclosed