SCHEMBL6640824

SCHEMBL6640824

Cn1c(C(O)c2ccc(C(=N)N)cc2)nc2cc(N(CC(=O)O)S(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.54
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL6633900 0.91 F2 (0.50) F2KMT2ALMNAGAAHTT
SCHEMBL6636052 0.84 F2 (0.43) F2ALDH1A1KMT2ALMNAGAA
SCHEMBL6635670 0.82 F2 (0.74) F2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8028428 0.82 F2 (0.77) F2
SCHEMBL6634705 0.82 F2 (0.47) F2ALDH1A1HTTSMN1; SMN2
SCHEMBL6640819 0.81 F2 (0.76) F2KEAP1NFE2L2
SCHEMBL6637006 0.81 F2 (0.75) F2
SCHEMBL6637043 0.77 F2 (0.44) F2ALDH1A1HTTSMN1; SMN2
SCHEMBL6638619 0.77 HCRTR2 (0.43) ALDH1A1KMT2ALMNAHTTKEAP1
Hydrochloric Acid SCHEMBL8026134 0.76 F2 (0.64) F2

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