SCHEMBL8101459

SCHEMBL8101459

COC(=O)CN(c1ccc2c(c1)nc(COc1ccc(C#N)cc1)n2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.68
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL6639246 0.93 F2 (0.67) F2SMN1; SMN2TP53FNTAFNTB
SCHEMBL8031785 0.91 F2 (0.66) F2SMN1; SMN2TP53FNTAFNTB
SCHEMBL6634143 0.91 F2 (0.56) F2SMN1; SMN2TP53FNTAFNTB
SCHEMBL6635152 0.91 F2 (0.66) F2SMN1; SMN2TP53FNTAFNTB
SCHEMBL6636130 0.90 F2 (0.68) F2SMN1; SMN2FNTAFNTBPGGT1B
SCHEMBL6634668 0.89 F2 (0.87) F2SMN1; SMN2TP53HDAC6
SCHEMBL6634298 0.87 F2 (0.61) F2SMN1; SMN2FNTAFNTBPGGT1B
SCHEMBL6636057 0.86 F2 (0.57) F2SMN1; SMN2FNTAFNTBPGGT1B
SCHEMBL6636359 0.85 F2 (0.53) F2SMN1; SMN2TP53FNTAFNTB
SCHEMBL7430469 0.85 F2 (0.54) F2SMN1; SMN2TP53FNTAFNTB

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