SCHEMBL7719735

SCHEMBL7719735

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.52
PRSS2 P07478 4/20 0.52
PRSS3 P35030 4/20 0.52
F10 P00742 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
ST14 Q9Y5Y6 4/20 0.48
F2 P00734 5/20 0.47
PLG P00747 1/20 0.47
C1S P09871 1/20 0.47
TMPRSS6 Q8IU80 2/20 0.44
TPSAB1 Q15661 1/20 0.43
LMNA P02545 1/20 0.42
MASP2 O00187 1/20 0.42
PLAU P00749 1/20 0.42
THPO P40225 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41

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
SCHEMBL3306119 0.83 EPHX2 (0.49)
SCHEMBL1445939 0.79 PRSS1 (0.48) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL4720670 0.77 KMT2A (0.56)
SCHEMBL48986 0.75 PRSS1 (0.57) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL10211024 0.75 PRSS1 (0.57) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL1446320 0.75 PRSS1 (0.57) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL2198992 0.74 PRSS1 (0.52) PRSS1PRSS2PRSS3F10LOXL2
SCHEMBL5221613 0.74 ESR1 (0.44)
SCHEMBL43650 0.74 GFER (0.44) LOXL2
SCHEMBL7428912 0.73 PRSS1 (0.50) PRSS1PRSS2PRSS3F10LOXL2

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-6395737-B1 ANTICOAGULANTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-28 US disclosed