SCHEMBL7801371

SCHEMBL7801371

COc1cccc(C(N)c2cc([N+](=O)[O-])ccc2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 9/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TLR9 Q9NR96 1/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
CYP2D6 P10635 2/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL7801213 0.86 TDP1 (0.52) TDP1MAPTHTTMEN1KMT2A
SCHEMBL7805414 0.82 NFE2L2 (0.46) TDP1MAPTHTTMEN1KMT2A
SCHEMBL7804239 0.80 TDP1 (0.51) TDP1MAPTHPGDHTTKMT2A
SCHEMBL28517356 0.77 TDP1 (0.61) TDP1MAPTHPGDHTTMEN1
SCHEMBL7801278 0.75 NFE2L2 (0.55) TDP1MAPTHTTMEN1KMT2A
SCHEMBL7785507 0.74 MAPT (0.40) MAPTHPGDHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7787525 0.74 NFE2L2 (0.53) TDP1MAPTHPGDHTTMEN1
SCHEMBL2962266 0.73 SMN1; SMN2 (0.60) TDP1MAPTHPGDHTTMEN1
Methylamine SCHEMBL11814441 0.73 NFE2L2 (0.58) MAPTHPGDHTTMEN1KMT2A
SCHEMBL30059246 0.73 LMNA (0.61) MAPTHPGDHTTMEN1KMT2A

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed