SCHEMBL7801213

SCHEMBL7801213

COc1ccc(C(N)c2cc([N+](=O)[O-])ccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
BACE1 P56817 3/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
TLR9 Q9NR96 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL7804239 0.88 TDP1 (0.51) TDP1GAAMAPTKMT2AALDH1A1
SCHEMBL7801371 0.86 TDP1 (0.49) TDP1GAAMAPTMEN1KMT2A
SCHEMBL7803614 0.85 MAPT (0.46) TDP1GAAMAPTMEN1KMT2A
SCHEMBL7802202 0.82 APP (0.55) TDP1GAAMAPTMEN1KMT2A
SCHEMBL28517356 0.80 TDP1 (0.61) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7801278 0.78 NFE2L2 (0.55) TDP1MAPTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7787525 0.77 NFE2L2 (0.53) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL2962266 0.76 SMN1; SMN2 (0.60) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7802203 0.76 SMN1; SMN2 (0.49) TDP1GAAMAPTKMT2AALDH1A1
SCHEMBL7805414 0.75 NFE2L2 (0.46) TDP1GAAMAPTMEN1KMT2A

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