SCHEMBL8027337

SCHEMBL8027337

Cn1c(Cc2ccc(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 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 1.00
F10 P00742 2/20 0.42
SLC22A2 O15244 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
NQO2 P16083 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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
Hydrochloric Acid SCHEMBL8027136 0.99 F2 (0.98) F2F10SLC22A2PLGPLAT
SCHEMBL6633799 0.93 F2 (1.00) F2F10SLC22A2PLGPLAT
Hydrochloric Acid SCHEMBL8016099 0.91 F2 (0.84) F2NQO2
SCHEMBL6640506 0.91 F2 (0.84) F2F10SLC22A2PLGPLAT
Hydrochloric Acid SCHEMBL8026329 0.91 F2 (0.99) F2F10SLC22A2PLGPLAT
SCHEMBL7424644 0.91 F2 (0.83) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL8017205 0.90 F2 (0.82) F2F10PLGNQO2
Hydrochloric Acid SCHEMBL7981433 0.90 F2 (0.82) F2F10PLGPRSS1PRSS2
SCHEMBL6635663 0.90 F2 (1.00) F2F10SLC22A2PLGPLAT
SCHEMBL3000235 0.89 F2 (1.00) F2F10SLC22A2PLGPLAT

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed