SCHEMBL7569734

SCHEMBL7569734

Nc1cc(N)nc(SCCl)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 7/20 0.52
NPC1 O15118 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL16486503 0.76 RAB9A (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13425427 0.76 ALOX15 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3526925 0.76 RAB9A (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7563306 0.76 RAB9A (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7769184 0.73 RAB9A (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7569936 0.71 KMT2A (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL11779560 0.71 RAB9A (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3945346 0.70 RAB9A (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28385069 0.69 ALOX15 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10882423 0.69 RAB9A (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-1077981-B1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD (KR) 2002-08-07 EP disclosed
EP-1077981-A1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LIMITED (KR) 2001-02-28 EP disclosed
WO-1999058535-A1 NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME LG CHEMICAL LTD. (KR) 1999-11-18 WO disclosed