SCHEMBL8525397

SCHEMBL8525397

Cn1nc(Cl)n(-c2ccccc2Oc2ccc3ccccc3c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NOD2 Q9HC29 1/20 0.42
GAA P10253 1/20 0.41
RCE1 Q9Y256 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.37
PARP1 P09874 1/20 0.36
PARG Q86W56 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1I2 O75469 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL8484212 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL8593864 0.78 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1KMT2ALMNA
SCHEMBL8100124 0.75 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTSLC6A4SLC6A2
SCHEMBL8590523 0.69 KDM4E (0.47) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL8099987 0.69 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL27560651 0.69 HTT (0.39) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL8010710 0.68 POLB (0.44) SMN1; SMN2NR1H2SLC6A4BRD4SLC6A2
SCHEMBL8155272 0.67 NPC1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL8481561 0.66 MYC (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL1137679 0.64 GAA (0.54) SMN1; SMN2HTTALDH1A1GAARCE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962436-A AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-10-05 US disclosed
EP-0810997-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-12-10 EP disclosed
WO-1996026191-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-29 WO disclosed