SCHEMBL16830146

SCHEMBL16830146

Cc1cc([N+](=O)[O-])ccc1NC(=O)C=NO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54

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
SCHEMBL16830145 1.00 MAPK1 (0.62) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL9681922 0.83 ALDH1A1 (0.59) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL11037350 0.82 ALDH1A1 (0.65) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL4490833 0.81 ALDH1A1 (0.68) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL3271853 0.81 ALDH1A1 (0.68) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL1285405 0.79 HTT (0.74) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL30168131 0.79 HTT (0.74) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL5520652 0.78 MAPT (0.64) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL25356392 0.77 MAPK1 (1.00) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL18702772 0.77 MAPK1 (0.68) MAPK1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018109650-A1 SPIRO[CYCLOPENTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-06-21 WO disclosed
WO-2015092118-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2015-06-25 WO disclosed