SCHEMBL9340370

SCHEMBL9340370

ICSc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALOX15 P16050 3/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15B O15296 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B10 Q99714 3/20 0.33
PKM P14618 2/20 0.31
MAPK1 P28482 2/20 0.31
ATM Q13315 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
SCHEMBL8446049 0.84 HPGD (0.38) HPGDSMN1; SMN2NPC1RAB9AALOX15
SCHEMBL8442669 0.76 ALDH1A1 (0.35) HPGDSMN1; SMN2NPC1RAB9AALOX15
SCHEMBL1848390 0.73 CYP11B1 (0.39) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1
SCHEMBL2877298 0.71 CYP11B1 (0.40) SMN1; SMN2RAB9AALOX15TSHRALDH1A1
SCHEMBL8387829 0.70 CYP11B1 (0.35) CYP11B1CYP11B2
SCHEMBL23496592 0.69 CYP11B1 (0.39) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1
SCHEMBL8387437 0.69 CYP11B1 (0.39) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1
SCHEMBL2877294 0.69 CYP11B1 (0.39) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1
SCHEMBL8388038 0.69 CYP11B1 (0.39) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1
SCHEMBL21293423 0.69 CYP11B1 (0.36) SMN1; SMN2RAB9AALOX15TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed