SCHEMBL8176121

SCHEMBL8176121

CC(C)c1ccc(-c2[c]ccc(C(=N)N)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
PRSS1 P07477 7/20 0.38
F10 P00742 6/20 0.38
PRSS2 P07478 6/20 0.38
PRSS3 P35030 6/20 0.38
PLAU P00749 2/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TOP1 P11387 1/20 0.34
HPGD P15428 1/20 0.34
NQO2 P16083 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRMT1 Q99873 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL8169108 0.83 LMNA (0.48) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL8170510 0.83 NQO2 (0.44) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL8169720 0.80 C1S (0.44) PRSS1PRSS2PRSS3PLAUALDH1A1
SCHEMBL8174039 0.80 NQO2 (0.43) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL8163067 0.79 PRSS1 (0.54) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL8176603 0.79 NQO2 (0.48) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL6494848 0.77 LMNA (0.36) HTTKIF11ALDH1A1HPGDHSD17B10
SCHEMBL8169371 0.77 PLAU (0.38) PRSS1F10PRSS2PRSS3PLAU
SCHEMBL9030286 0.76 IDO1 (0.37) PRSS1PRSS2PRSS3PLAUKIF11
SCHEMBL8169121 0.73 PRSS1 (0.49) PRSS1F10PRSS2PRSS3PLAU

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
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed