SCHEMBL9029684

SCHEMBL9029684

CCCC(O[C]=O)c1ccc(C(=N)N)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
F10 P00742 4/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
UBE2T Q9NPD8 2/20 0.33
TMPRSS15 P98073 1/20 0.32
F2 P00734 4/20 0.32
TMPRSS2 O15393 1/20 0.32
DGAT1 O75907 1/20 0.31
PLAU P00749 1/20 0.31
PRMT1 Q99873 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31

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
SCHEMBL8174692 0.80 F2 (0.42) PRSS1PRSS2PRSS3F10F7
SCHEMBL9030206 0.74 PRMT1 (0.32) PRSS1PRSS2PRSS3F10F7
SCHEMBL8169531 0.71 F2 (0.40) PRSS1PRSS2PRSS3F10F2
SCHEMBL6706897 0.71 KCNA5 (0.47)
SCHEMBL9030472 0.70 PRSS1 (0.41) PRSS1PRSS2PRSS3F10F7
SCHEMBL9030715 0.70 PRSS1 (0.51) PRSS1PRSS2PRSS3F10F2
SCHEMBL18719680 0.69 UBE2T (0.45) PRSS1PRSS2PRSS3UBE2TF2
SCHEMBL9031211 0.68 F10 (0.48) PRSS1PRSS2PRSS3F10TMPRSS15
SCHEMBL6708539 0.68 ATM (0.33)
SCHEMBL9030918 0.68 F2 (0.43) PRSS1PRSS2PRSS3F10TMPRSS15

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed