SCHEMBL11064930

SCHEMBL11064930

COC(C(O)=S)c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH3A1 P30838 1/20 0.44
ALDH1A3 P47895 1/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 3/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL11066022 0.87 CHRM1 (0.49) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL10984624 0.87 ALDH1A1 (0.44) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL22296418 0.76 MAPT (0.58) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL10994119 0.74 CHRM1 (0.51) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL23537562 0.70 MAPT (0.58) MAPTSMN1; SMN2GAAALDH1A1ALDH3A1
SCHEMBL2387658 0.70 HIF1A (0.50) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL23732094 0.68 SLC6A2 (0.53) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL23537930 0.68 SMN1; SMN2 (0.64) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL12864867 0.68 MAPT (0.64) MAPTSMN1; SMN2GAAALDH1A1MEN1
SCHEMBL1665694 0.66 SMN1; SMN2 (0.59) MAPTSMN1; SMN2GAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed