SCHEMBL7440437

SCHEMBL7440437

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.57
F2 P00734 3/20 0.57
PRSS2 P07478 3/20 0.57
PRSS3 P35030 3/20 0.57
TMPRSS6 Q8IU80 3/20 0.57
ST14 Q9Y5Y6 3/20 0.57
LMNA P02545 1/20 0.46
MASP2 O00187 1/20 0.46
PLAU P00749 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL7885601 0.81 ALDH1A1 (0.47) PRSS1F2PLAU
SCHEMBL7498540 0.77 PRSS1 (0.47) PRSS1F2PRSS2PRSS3PLAU
SCHEMBL7789704 0.76 MEN1 (0.32) LMNA
SCHEMBL1446234 0.75 PRSS1 (0.59) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1086164 0.74 TSHR (0.55)
SCHEMBL537030 0.74 LMNA (0.77) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6289073 0.73 PRSS1 (0.59) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL17570501 0.73 PRSS1 (0.59) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL4553738 0.72 F2 (0.77) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5640360 0.72 MAPT (0.50) LMNA

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
CN-1187186-A Substituted phenyl amindines, medicaments containing these compounds and process for producing them THOMAE GMBH DR K (DE) 1998-07-08 CN disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed