SCHEMBL8926061

SCHEMBL8926061

NC(=O)CNC(=O)CSC[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8691214 1.00 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2DPP8
SCHEMBL8694755 0.92 DPP8 (0.36) ALDH1A1GAADPP8DPP9MAPT
SCHEMBL8925234 0.91 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2DPP8
SCHEMBL8691045 0.91 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2DPP8
SCHEMBL9519172 0.91 RAB9A (0.40) ALDH1A1DPP8DPP9MAPTRAB9A
SCHEMBL8926050 0.88 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2DPP8
SCHEMBL8693776 0.88 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2DPP8
SCHEMBL8694775 0.87 ALDH1A1 (0.39) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL8690264 0.87 ALDH1A1 (0.39) ALDH1A1GAALMNASMN1; SMN2MAPT
SCHEMBL8691481 0.87 HPGD (0.37) ALDH1A1LMNADPP8DPP9MAPT

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-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed