SCHEMBL9021597

SCHEMBL9021597

COc1cccc(OC)c1N(S)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA4 P22748 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
CTSD P07339 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 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
SCHEMBL4038187 0.80 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL30705345 0.76 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL11174076 0.75 MYC (0.36) ALDH1A1KMT2APOLBHSD17B10HTT
SCHEMBL5039044 0.73 CYP1A2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6208682 0.73 CA12 (0.41) CA12CA1CA2CA7CA9
1,2-Dimethoxybenzene SCHEMBL28118612 0.73 CA1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL9524209 0.72 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL11543475 0.72 GABRA1 (0.43) ALDH1A1KMT2AHSD17B10KDM4ETP53
SCHEMBL14053273 0.71 CYP1A2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL8516410 0.71 S1PR4 (0.41) CA12CA1CA2CA7CA9

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