SCHEMBL10936941

SCHEMBL10936941

CCCCCC(=O)Oc1ccc2cc(C(=N)N)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.50
F2 P00734 2/20 0.50
PLG P00747 2/20 0.50
PRSS1 P07477 2/20 0.50
TMPRSS2 O15393 1/20 0.50
MLNR O43193 1/20 0.50
ALDH1A1 P00352 1/20 0.50
C1R P00736 1/20 0.50
F10 P00742 1/20 0.50
LMNA P02545 1/20 0.50
ITGB3 P05106 1/20 0.50
HPN P05981 1/20 0.50
KLK1 P06870 1/20 0.50
CHRM2 P08172 1/20 0.50
ITGA2B P08514 1/20 0.50
C1S P09871 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL10937714 0.99 CA2 (0.49) F12F2PLGPRSS1TMPRSS2
SCHEMBL10935188 0.99 CA2 (0.49) F12F2PLGPRSS1TMPRSS2
SCHEMBL10936063 0.99 CA2 (0.49) F12F2PLGPRSS1TMPRSS2
SCHEMBL10936064 0.99 CA2 (0.49) F12F2PLGPRSS1TMPRSS2
SCHEMBL10936555 0.94 FTO (0.56) F12F2PLGPRSS1TMPRSS2
SCHEMBL10939655 0.93 FTO (0.55) F12F2PLGPRSS1TMPRSS2
SCHEMBL10935096 0.93 FTO (0.55) F12F2PLGPRSS1TMPRSS2
SCHEMBL10936181 0.93 FTO (0.55) F12F2PLGPRSS1TMPRSS2
SCHEMBL10936645 0.93 FTO (0.55) F12F2PLGPRSS1TMPRSS2
SCHEMBL10934547 0.91 F12 (0.53) F12F2PLGPRSS1TMPRSS2

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-4496584-A ANTITRYPSIN, ANTIKALLIKREIN, ANTITHROMBIN OR ANTIPLASMIN AGENT TORII & CO. LTD. (JP) 1985-01-29 US disclosed