SCHEMBL9692808

SCHEMBL9692808

N=C(c1ccc(N)cc1)c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.46
MASP2 O00187 1/20 0.46
THPO P40225 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
APEX1 P27695 1/20 0.45
PRSS3 P35030 1/20 0.45
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL2307166 0.87 MAPT (0.57) F2PRSS1PRSS3MAPTGAA
SCHEMBL15811026 0.84 WDR5 (0.53) PRSS1PRSS3MAPTGAAHSD17B10
SCHEMBL5215773 0.84 HSD11B1 (0.44) PLAUF2PRSS1MAPTGAA
SCHEMBL13844371 0.80 CA2 (0.39) MAPTGAAALDH1A1CA1CA2
SCHEMBL10778018 0.78 MASP2 (0.54) PLAUMASP2THPOF2PRSS1
SCHEMBL28795375 0.77 BCAT2 (0.47) PLAUMASP2THPOF2PRSS1
SCHEMBL251656 0.77 PLAU (0.65) PLAUMASP2THPOF2PRSS1
SCHEMBL22454059 0.76 MAPT (0.50) F2PRSS1APEX1PRSS3MAPT
SCHEMBL17253748 0.76 MMP3 (0.42) MAPTGAACA1CA2CA9
SCHEMBL3178977 0.75 MAPT (0.77) MAPTGAAHSD17B10ALDH1A1CFTR

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
EP-0444158-A4 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE 1992-06-24 EP disclosed
EP-0444158-A1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE. UNIV CALIFORNIA (US) 1991-09-04 EP disclosed
WO-1990005749-A1 CONJUGATED POLYPEPTIDES AND METHODS FOR THEIR PREPARATION AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-05-31 WO disclosed