SCHEMBL5481728

SCHEMBL5481728

CCOC(=O)c1c([N+](=O)[O-])ccnc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 8/20 0.48
AR P10275 2/20 0.47
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL2475360 0.80 L3MBTL1 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL28560223 0.78 TDP1 (0.42) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL306569 0.78 CA12 (0.50) MAPTNPC1RAB9AALDH1A1PDE4D
SCHEMBL1243723 0.77 AR (0.44) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL25529027 0.76 CA12 (0.62) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL5764011 0.76 TDP1 (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL27249061 0.75 ALDH1A1 (0.51) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL8840548 0.75 PDE4B (0.48) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL14351781 0.75 HTT (0.50) MAPTNPC1RAB9AALDH1A1PDE4D
SCHEMBL31214404 0.75 HTT (0.50) MAPTNPC1RAB9AALDH1A1PDE4D

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed