SCHEMBL8109686

SCHEMBL8109686

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(CC(=O)NCC(=O)O)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.86
ALDH1A1 P00352 2/20 0.42
SLC22A2 O15244 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PROC P04070 1/20 0.40
HPN P05981 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
NQO2 P16083 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40

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
SCHEMBL6633799 0.92 F2 (1.00) F2ALDH1A1SLC22A2F10PLG
SCHEMBL8101494 0.92 F2 (0.76) F2ALDH1A1F10PLGNQO2
SCHEMBL6638213 0.89 F2 (0.85) F2ALDH1A1SLC22A2F10PLG
SCHEMBL6640152 0.86 F2 (0.83) F2ALDH1A1F10PLGNQO2
SCHEMBL8027337 0.86 F2 (1.00) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8027136 0.85 F2 (0.98) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8015929 0.85 F2 (0.75) F2ALDH1A1F10PLGNQO2
SCHEMBL6640506 0.85 F2 (0.84) F2ALDH1A1SLC22A2F10PLG
Hydrochloric Acid SCHEMBL8028366 0.85 F2 (0.66) F2ALDH1A1
SCHEMBL7670276 0.84 F2 (0.79) F2SLC22A2F10PLGPLAT

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-6121308-A INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE BOEHRINGER INGELHEIM KG (DE) 2000-09-19 US disclosed