SCHEMBL6633799

SCHEMBL6633799

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 1.00
SLC22A2 O15244 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PROC P04070 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
NQO2 P16083 1/20 0.41
PRSS3 P35030 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8027337 0.93 F2 (1.00) F2SLC22A2F10PLGPLAT
Hydrochloric Acid SCHEMBL8027136 0.93 F2 (0.98) F2SLC22A2F10PLGPLAT
SCHEMBL8109686 0.92 F2 (0.86) F2SLC22A2F10PLGPLAT
SCHEMBL6638213 0.92 F2 (0.85) F2SLC22A2F10PLGPLAT
SCHEMBL6636753 0.91 F2 (0.84) F2
SCHEMBL6640152 0.91 F2 (0.83) F2F10PLGNQO2ALDH1A1
SCHEMBL6640506 0.91 F2 (0.84) F2SLC22A2F10PLGPLAT
SCHEMBL6637086 0.90 F2 (0.81) F2SLC22A2F10PLGPLAT
SCHEMBL6633590 0.89 F2 (0.81) F2ALDH1A1
SCHEMBL6635663 0.89 F2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed
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