SCHEMBL9878155

SCHEMBL9878155

NC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NCCCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.44
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL11100083 0.85 DPP8 (0.52) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL9877881 0.82 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL9878069 0.81 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL9878619 0.81 RAB9A (0.45) RAB9ASMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL9877543 0.79 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL9877425 0.78 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTHTT
SCHEMBL11160866 0.72 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL11514795 0.72 RAB9A (0.65) RAB9ASMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL9574265 0.71 DPP8 (0.40) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL9574263 0.70 MAPT (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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