SCHEMBL9300611

SCHEMBL9300611

COC(=O)c1cnn2c(C)cc(S)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 11/20 0.52
HPGD P15428 8/20 0.52
HSD17B10 Q99714 7/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
CASP1 P29466 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
HTR2C P28335 1/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9300782 0.85 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL9300919 0.81 KDM4E (0.66) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8196129 0.77 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL14124198 0.77 KDM4E (0.63) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL8256942 0.76 KDM4E (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25117949 0.74 KDM4E (0.54) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10617852 0.73 KDM4E (0.54) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL13232457 0.72 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL25117799 0.72 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL1006040 0.71 KDM4E (0.68) KDM4EMAPTALDH1A1HPGDHSD17B10

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
US-5319140-A Antibiotics HOFFMANN-LA ROCHE INC. (US) 1994-06-07 US disclosed
US-5138066-A Intermediates for cephalosporins with sulfur-containing oxyimino side chain HOFFMANN-LA ROCHE, INC. (US) 1992-08-11 US disclosed
US-5073550-A Bactericides HOFFMANN-LA ROCHE INC. (US) 1991-12-17 US disclosed
US-5036064-A Antibiotics HOFFMANN-LA ROCHE INC. (US) 1991-07-30 US disclosed
EP-0303172-A2 Oxyimino-cephalosporins F. HOFFMANN-LA ROCHE AG (CH) 1989-02-15 EP disclosed
EP-0286145-A2 3-Heterocyclylthiomethyl cephalosporins SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1988-10-12 EP disclosed