SCHEMBL27985684

SCHEMBL27985684

CCOC(=O)C(Cc1ncccc1[N+](=O)[O-])C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
GAA P10253 2/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.42
CTSB P07858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL31213829 1.00 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL27985685 0.86 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL30132805 0.81 MAPT (0.52) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL5787352 0.81 MAPT (0.52) ALDH1A1L3MBTL1MAPTRAB9ANPC1
Butane SCHEMBL7723409 0.80 MAPT (0.51) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL2107427 0.80 MAPT (0.51) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL31213792 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL1269180 0.78 ALDH1A1 (0.80) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL29392267 0.78 ALDH1A1 (0.80) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL27856348 0.78 MAPT (0.52) ALDH1A1L3MBTL1MAPTRAB9ANPC1

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
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed