SCHEMBL9021673

SCHEMBL9021673

CCn1c(N)c(C)c(N)nc1=S

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32
KDM4E B2RXH2 2/20 0.31
RAD52 P43351 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL9409353 0.82 HSD17B10 (0.33) ALOX15HSD17B10ALDH1A1HPGDPOLB
SCHEMBL9021900 0.78 SMN1; SMN2 (0.32) ALOX15HSD17B10ALDH1A1HPGDPOLB
SCHEMBL9022174 0.72
SCHEMBL8868931 0.72
SCHEMBL9322770 0.67 CYP1A2 (0.40) ALOX15HSD17B10ALDH1A1HPGDPOLB
SCHEMBL12261737 0.66 HTT (0.41) ALOX15HSD17B10ALDH1A1HPGDGAA
SCHEMBL12282579 0.66 ALDH1A1 (0.49) ALOX15HSD17B10ALDH1A1HPGDPOLB
SCHEMBL9413871 0.65 LPO (0.31)
SCHEMBL7112477 0.64 NOS2 (0.34) ALOX15HSD17B10ALDH1A1GAAADORA3
SCHEMBL9413771 0.60 KDM5B (0.34) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397511-B1 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD (KR) 1996-09-04 EP disclosed
US-5202315-A Antiboiotic LUCKY, LTD. (KR) 1993-04-13 US disclosed
WO-1992008721-A1 NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF LUCKY, LTD. (KR) 1992-05-29 WO disclosed
EP-0397511-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY, LTD. (KR) 1990-11-14 EP disclosed