SCHEMBL8469063

SCHEMBL8469063

Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)c2c(C)c3ccc(N)cc3oc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.35
PRSS1 P07477 9/20 0.35
PRSS2 P07478 9/20 0.35
PRSS3 P35030 9/20 0.35
DPP4 P27487 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9603823 0.84 DPP4 (0.44) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL14336163 0.83 DPP4 (0.45) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL2226082 0.82 DPP4 (0.46) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL12955580 0.81 F2 (0.44) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL8469067 0.81 CA12 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL30522455 0.81 CA12 (0.43) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28899291 0.81 DPP4 (0.39) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL9396036 0.77 DPP4 (0.43) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL5597236 0.75 DPP4 (0.40) F2PRSS1PRSS2PRSS3DPP4
SCHEMBL1498278 0.75 F2 (0.42) F2PRSS1PRSS2PRSS3DPP4

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-5935802-A Method of assaying a blood sample for prothrombin EVANSTON NORTHWESTERN HEALTHCARE RESEARCH INSTITUTE (US) 1999-08-10 US disclosed