SCHEMBL8109532

SCHEMBL8109532

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(N(C3CCCC3)S(C)(=O)=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.55
KLK1 P06870 1/20 0.55
KLK5 Q9Y337 1/20 0.55
F10 P00742 3/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
NQO2 P16083 2/20 0.49
SLC22A2 O15244 1/20 0.49
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49
PROC P04070 1/20 0.49
HPN P05981 1/20 0.49
SLC47A2 Q86VL8 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL8026566 0.88 F2 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL6635985 0.84 ITK (0.43) F2HDAC6
SCHEMBL6638105 0.79 F2 (0.57) F2KLK1KLK5F10PRSS1
SCHEMBL6779988 0.79 F2 (0.71) F2F10PRSS1PRSS2PRSS3
SCHEMBL6633756 0.79 F2 (0.42) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6778628 0.76 NQO2 (0.69) F2KLK1KLK5F10PRSS1
SCHEMBL5970306 0.76 F2 (0.70) F2KLK1KLK5F10PRSS1
SCHEMBL6637006 0.75 F2 (0.75) F2KLK1KLK5F10PRSS1
SCHEMBL6633497 0.74 KLK1 (0.65) F2KLK1KLK5F10PRSS1
Hydrochloric Acid SCHEMBL8028962 0.74 F2 (0.53) F2F10PRSS1PRSS2PRSS3

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