SCHEMBL11468226

SCHEMBL11468226

Cc1coc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12559239 0.78 GPR35 (0.38) TDP1ALDH1A1PKM
SCHEMBL4577239 0.71 MCL1 (0.41) TDP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2866739 0.70 CYP1A2 (0.42) TDP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL347935 0.67 TSHR (0.59) TDP1ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL8869893 0.67 MCL1 (0.38) TDP1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL31423771 0.67 LMNA (0.42) TDP1ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL1760867 0.67 KMT2A (0.49) TDP1ALDH1A1TSHRL3MBTL1KMT2A
Cyclopropane SCHEMBL11657479 0.65 CYP1A2 (0.38) TDP1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7317416 0.65 TDP1 (0.58) TDP1ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL28300921 0.65 TSHR (0.53) TDP1ALDH1A1TSHRL3MBTL1KMT2A

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-4219482-A Process for preparing thiophene and furan derivatives LABAZ (FR) 1980-08-26 US disclosed