SCHEMBL8108331

SCHEMBL8108331

Cc1cc(C)nc(SOCc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.51
IDO1 P14902 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
EGFR P00533 1/20 0.46
MET P08581 1/20 0.46
GAA P10253 1/20 0.45
AKR1C3 P42330 1/20 0.43
KDM1A O60341 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7859572 0.80 MAPT (0.59) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL5654152 0.79 MAPT (1.00) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL10522322 0.75 MAPT (0.66) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL18459148 0.75 IDO1 (0.59) MAPTALDH1A1IDO1LMNAL3MBTL1
SCHEMBL8062310 0.74 IDO1 (0.63) MAPTALDH1A1IDO1AKR1C3POLB
SCHEMBL8187272 0.72 MAPT (0.59) MAPTALDH1A1HTTL3MBTL1EGFR
SCHEMBL13067231 0.71 MAPT (0.82) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL10517534 0.70 MAPT (0.58) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL10517551 0.70 MAPT (0.62) MAPTALDH1A1HTTLMNAHPGD
SCHEMBL293415 0.69 IDO1 (0.66) MAPTALDH1A1HTTIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
WO-1993011128-A1 AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-10 WO disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed