SCHEMBL9344818

SCHEMBL9344818

CCOC(=O)C(C(=O)C=NOC(C)C)c1csc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 3/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MPI P34949 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
SCHEMBL9344815 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL9390231 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL999516 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL21044135 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7564375 0.74 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL11972014 0.74 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL11972348 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL9481200 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL11374282 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL10918640 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5336776-A Cephalopsporin intermediates; Staphyloccus septicemia and skin disorders; penicillin-resistant gramnegative bacteria ROUSSEL UCLAF (FR) 1994-08-09 US disclosed