SCHEMBL9878619

SCHEMBL9878619

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NCCCSSCCCNC(N)=NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
TGM2 P21980 1/20 0.41
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL9877881 0.89 RAB9A (0.46) RAB9ADPP8DPP9TGM2IDO1
SCHEMBL9878069 0.88 RAB9A (0.46) RAB9ADPP8DPP9TGM2IDO1
SCHEMBL9877543 0.85 RAB9A (0.44) RAB9ADPP8DPP9IDO1ALDH1A1
SCHEMBL11099186 0.82 DPP8 (0.56) RAB9ADPP8DPP9TGM2ALDH1A1
SCHEMBL9878155 0.81 RAB9A (0.48) RAB9ADPP8DPP9ALDH1A1MAPT
SCHEMBL9878441 0.79 HTT (0.43) RAB9ADPP8DPP9TGM2IDO1
SCHEMBL11160866 0.78 RAB9A (0.46) RAB9AIDO1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9878438 0.78 RAB9A (0.42) RAB9AIDO1ALDH1A1MAPTPOLB
SCHEMBL9878075 0.76 DPP8 (0.54) RAB9ADPP8DPP9TGM2IDO1
SCHEMBL9574265 0.74 DPP8 (0.40) RAB9ADPP8DPP9ALDH1A1MAPT

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-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed