SCHEMBL7471882

SCHEMBL7471882

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7474075 0.74 GAA (0.52) GAAALDH1A1HPGD
SCHEMBL6653068 0.70 ALDH1A1 (0.32) GAAALDH1A1HPGD
SCHEMBL6652064 0.69 GAA (0.56) GAAALDH1A1
Hydrochloric Acid SCHEMBL6652810 0.69 ALDH1A1 (0.31) GAAALDH1A1HPGD
SCHEMBL669124 0.62 ADRA2A (0.34) GAA
SCHEMBL28521977 0.60 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28770641 0.60 ALDH1A1 (0.33) GAAALDH1A1LMNAHPGD
SCHEMBL8964833 0.59 POLB (0.33) ALDH1A1HPGD
SCHEMBL1158351 0.58 ALOX5 (0.42) GAAALDH1A1HPGD
SCHEMBL12917966 0.55 PRSS1 (0.36)

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-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP claimed