SCHEMBL9162883

SCHEMBL9162883

O=c1nc(N2CCCCC2)sc(N2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.53
ALDH1A1 P00352 13/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
HSD17B10 Q99714 5/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 4/20 0.43
HPGD P15428 7/20 0.42
TP53 P04637 3/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL9155857 0.98 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL9158583 0.78 PIK3CD (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL4852520 0.70 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL13159147 0.68 RAB9A (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ATSHR
SCHEMBL17385002 0.67 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL2559355 0.67 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL15265545 0.67 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL28077366 0.67 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL16404868 0.66 PIK3CD (0.72) SMN1; SMN2ALDH1A1RAB9AGAAMAPK1
SCHEMBL3680548 0.65 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AHSD17B10

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-0486041-B1 A method for producing thiadiazine compounds AGENCY IND SCIENCE TECHN (JP) 1995-02-22 EP disclosed
US-5138053-A METHOD FOR PRODUCING THIADIAZINE COMPOUNDS DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-08-11 US disclosed
EP-0486041-A1 A method for producing thiadiazine compounds DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-05-20 EP disclosed