SCHEMBL6653068

SCHEMBL6653068

Cc1c(CN)sc(OC(N)=O)c1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.31

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 SCHEMBL6652810 0.98 ALDH1A1 (0.31) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL8052245 0.71 GAA (0.48) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL7471882 0.70 GAA (0.33) ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL5987101 0.69 GAA (0.47) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL669124 0.62 ADRA2A (0.34) GAA
SCHEMBL28521977 0.60 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL8964833 0.59 POLB (0.33) ALDH1A1MAPTHPGD
SCHEMBL20613536 0.58
SCHEMBL1158351 0.58 ALOX5 (0.42) ALDH1A1GAAMAPTHPGDSMN1; SMN2
SCHEMBL25352415 0.55 DAO (0.42) ALDH1A1MAPTHPGDSMN1; SMN2

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
EP-0956294-B1 THROMBIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed