SCHEMBL11045796

SCHEMBL11045796

CC(C)(C)OC(=O)NCCc1nn[c]s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 4/20 0.38
NQO2 P16083 1/20 0.38
HPGD P15428 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 3/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11179907 0.88 HTT (0.36) HTTALDH1A1GFERNPSR1TDP1
SCHEMBL11049343 0.85 KDM4E (0.44) HTTALDH1A1GFERTDP1MEN1
SCHEMBL11434260 0.80 KDM4E (0.37) HTTALDH1A1GFERTDP1MEN1
SCHEMBL24387810 0.75 HTT (0.48) HTTALDH1A1GFERNPSR1TDP1
SCHEMBL21738035 0.74 HTT (0.47) HTTALDH1A1GFERNPSR1TDP1
SCHEMBL11175159 0.73 KDM4E (0.33) LMNA
SCHEMBL11179911 0.73 GBA1 (0.36)
SCHEMBL28231770 0.72 HTT (0.45) HTTALDH1A1GFERNPSR1TDP1
SCHEMBL3654698 0.71 L3MBTL1 (0.47) HTTALDH1A1GFERNPSR1TDP1
SCHEMBL18764815 0.71 HTT (0.41) HTTALDH1A1GFERNPSR1TDP1

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
US-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
US-4385181-A CHAMICAL INTERMEDIATES FOR CEPHALOSPORINS RHONE POULENC INDUSTRIES (FR) 1983-05-24 US disclosed
US-4366153-A CEPHALOSPORINS; ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-28 US disclosed
US-4341775-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 US disclosed