SCHEMBL9494772

SCHEMBL9494772

COC(=O)COC(=O)c1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9494766 1.00 GAA (0.44) GAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL9764435 0.89 BAZ2B (0.39) GAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL9764431 0.89 BAZ2B (0.39) GAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL9242901 0.86 HPGD (0.32) GAAHPGDPOLB
SCHEMBL9242904 0.86 HPGD (0.32) GAAHPGDPOLB
SCHEMBL9494943 0.82 HPGD (0.39) HPGDSMN1; SMN2MAPTPOLB
SCHEMBL9679868 0.82 HPGD (0.39) HPGDSMN1; SMN2MAPTPOLB
SCHEMBL9496185 0.81
SCHEMBL9496193 0.81
SCHEMBL9492392 0.81 HPGD (0.32) HPGDSMN1; SMN2LMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457714-A1 Thiadiazabicyclononane derivatives, process for their preparation, intermediates and their use as herbicides CIBA-GEIGY AG (CH) 1991-11-21 EP claimed
US-5229514-A Thiourea compounds containing pyridazine ring CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
US-5135562-A 8-thia-1,6-diazabicyclo[4.3.0]nonane herbicides CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed
EP-0457714-A1 Thiadiazabicyclononane derivatives, process for their preparation, intermediates and their use as herbicides CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed