SCHEMBL6964599

SCHEMBL6964599

O=C(NN1CCOCC1)Oc1snc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.52
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL7872790 0.76 SMN1; SMN2 (0.49) LIPESMN1; SMN2ALDH1A1HTTCCNA2
SCHEMBL7550336 0.69 LIPE (1.00) LIPESMN1; SMN2ALDH1A1HTT
SCHEMBL2906873 0.68 KMT2A (0.36) SMN1; SMN2
SCHEMBL2901849 0.67
SCHEMBL3841963 0.67
SCHEMBL910451 0.66 LIPE (0.53) LIPESMN1; SMN2ALDH1A1HTTCYP2D6
SCHEMBL2907656 0.66
SCHEMBL10757188 0.65 LIPE (0.73) LIPESMN1; SMN2ALDH1A1
SCHEMBL28242343 0.64 LIPE (0.50) LIPESMN1; SMN2HTTCYP2D6
SCHEMBL7208112 0.63 LIPE (0.50) LIPESMN1; SMN2ALDH1A1CYP2D6

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
EP-1114038-B1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2003-12-03 EP disclosed
EP-1114038-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2001-07-11 EP disclosed
WO-2000015622-A1 ISOTHIAZOLE CARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO disclosed