SCHEMBL6635644

SCHEMBL6635644

Cc1c(CNc2ccc(C(=N)N)cc2)oc2cc(NS(=O)(=O)c3ccccc3CC(=O)O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.43
MAOB P27338 3/20 0.39
PRSS1 P07477 3/20 0.38
F10 P00742 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
F7 P08709 1/20 0.37
HIF1A Q16665 2/20 0.37
TMPRSS6 Q8IU80 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL6632766 0.90 HIF1A (0.42) F2MAOBPRSS1F10F7
SCHEMBL6634047 0.80 F2 (0.58) F2ALDH1A1GAAPKM
SCHEMBL6638862 0.76 HIF1A (0.44) MAOBHIF1A
SCHEMBL6637003 0.76 F2 (0.64) F2PRSS1F10PRSS2PRSS3
SCHEMBL6635648 0.75 F2 (0.46) F2ALDH1A1
SCHEMBL6636348 0.74 F2 (0.36) F2F10HIF1AALDH1A1GAA
Hydrochloric Acid SCHEMBL8031426 0.72 F2 (0.65) F2ALDH1A1GAAPKM
SCHEMBL6637534 0.70 F2 (0.68) F2ALDH1A1PKM
SCHEMBL6632770 0.70 TSHR (0.40) F2KDM4EALDH1A1GLA
SCHEMBL6635661 0.69 F2 (0.68) F2ALDH1A1PKM

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