SCHEMBL27328375

SCHEMBL27328375

CN=CC(=O)Oc1csc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 4/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NOS1 P29475 2/20 0.35
KDM4E B2RXH2 3/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CG P48736 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10401135 0.86 HSD17B10 (0.37) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8329867 0.86 HSD17B10 (0.37) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL5298283 0.85 ALDH1A1 (0.36) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL9055334 0.85 ALDH1A1 (0.36) ALDH1A1MAPTNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL27328374 0.84 ALDH1A1 (0.38) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL27622470 0.80 GABRA5 (0.40) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL1000856 0.76 ALDH1A1 (0.44) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL7106196 0.76 ALDH1A1 (0.42) ALDH1A1MAPTNPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL11102564 0.75 ALDH1A1 (0.46) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL1417466 0.74 GABRA5 (0.47) ALDH1A1MAPTNPC1MEN1KMT2A

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
CN-1059438-C Method for preparing cynnematin antibiotic BRISTOL MYERS SQUIBB CO (US) 2000-12-13 CN disclosed
CN-1036587-C Process for preparing cephalosporin antibiotics BRISTOL MYERS SQUIBB CO (US) 1997-12-03 CN disclosed
CN-1158333-A Method for preparing cynnematin antibiotic BRISTOL MYERS SQUIBB CO (US) 1997-09-03 CN disclosed