SCHEMBL8809074

SCHEMBL8809074

[c]1ncccc1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 3/20 0.32
DDAH1 O94760 1/20 0.31
NOS1 P29475 1/20 0.31
PTGIR P43119 1/20 0.30
MAPK1 P28482 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
CXCL12 P48061 1/20 0.30
NOTUM Q6P988 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
SCHEMBL4280312 0.75 EHMT2 (0.47) HPGDMAPTHTTALDH1A1
SCHEMBL2180342 0.71
SCHEMBL9479768 0.71 HSD17B10 (0.48) SMN1; SMN2MAPTHSD17B10HTTALDH1A1
SCHEMBL4448073 0.70 HPGD (0.42) HPGDSMN1; SMN2MAPTMGLLHSD17B10
SCHEMBL237661 0.67 HPGD (0.38) HPGDSMN1; SMN2MAPTMGLLHSD17B10
SCHEMBL19349014 0.67
Diphenylsulfane SCHEMBL11466727 0.66 HPGD (0.53) HPGDSMN1; SMN2MAPTMGLLHSD17B10
Diphenylsulfane SCHEMBL28332331 0.65 HPGD (0.60) HPGDSMN1; SMN2MAPTMGLLHSD17B10
Diphenylsulfane SCHEMBL452 0.65 HPGD (0.60) HPGDSMN1; SMN2MAPTMGLLHSD17B10
Diphenylsulfane SCHEMBL27611905 0.65 HPGD (0.60) HPGDSMN1; SMN2MAPTMGLLHSD17B10

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed