SCHEMBL8438444

SCHEMBL8438444

N=C(N)c1ccc(OC[C]=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 9/20 0.63
▸ TMPRSS2 O15393 2/20 0.61
▸ PRMT1 Q99873 3/20 0.59
▸ F2 P00734 3/20 0.59
▸ ST14 Q9Y5Y6 3/20 0.59
▸ PRSS2 P07478 2/20 0.59
▸ PRSS3 P35030 2/20 0.59
▸ PLAU P00749 1/20 0.59
▸ PRMT5 O14744 1/20 0.59
▸ SLC22A2 O15244 1/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ PTP4A3 O75365 1/20 0.59
▸ SLC22A3 O75751 1/20 0.59
▸ F10 P00742 1/20 0.59
▸ PLG P00747 1/20 0.59
▸ S100B P04271 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ CHRM4 P08173 1/20 0.59
▸ CHRM5 P08912 1/20 0.59
▸ ADRA2A P08913 1/20 0.59

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
SCHEMBL7454071 0.85 F2 (0.52) PRSS1TMPRSS2F2ST14PRSS2
SCHEMBL11086552 0.83 PARP10 (0.61) —
SCHEMBL12989289 0.81 PRSS1 (0.63) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL2170360 0.79 CA12 (0.42) MAOAACHE
SCHEMBL12348319 0.78 PRSS1 (0.76) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL11783118 0.77 ALDH1A1 (0.46) PRSS1ADRA2ACYP2D6
SCHEMBL8011558 0.77 PKM (0.58) —
Hydrochloric Acid SCHEMBL11783188 0.76 PRSS1 (1.00) PRSS1TMPRSS2PRMT1F2ST14
Propamidine SCHEMBL231060 0.76 TMPRSS2 (1.00) PRSS1TMPRSS2PRMT1F2ST14
Hydrochloric Acid SCHEMBL11784186 0.76 PRSS1 (0.77) PRSS1TMPRSS2PRMT1F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 — — EP claimed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 — — US claimed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 — — EP claimed
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 — — EP disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 — — US disclosed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 — — EP disclosed
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