SCHEMBL29096540

SCHEMBL29096540

CC/C(=C\c1cc([N+](=O)[O-])ccc1O)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.59
POLB P06746 3/20 0.54
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.47
LMNA P02545 3/20 0.47
HCRTR1 O43613 1/20 0.47
THRB P10828 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL29096543 1.00 ERN1 (0.59) ERN1POLBMAPTALDH1A1HTT
SCHEMBL29096555 0.83 MAPT (0.41) ERN1POLBMAPTALDH1A1HTT
SCHEMBL29096554 0.83 MAPT (0.41) ERN1POLBMAPTALDH1A1HTT
SCHEMBL29096567 0.82 EGFR (0.39) ERN1POLBMAPTHTTKDM4E
SCHEMBL29096570 0.82 ERN1 (0.49) ERN1POLBMAPTALDH1A1HTT
SCHEMBL29096568 0.82 ERN1 (0.49) ERN1POLBMAPTALDH1A1HTT
SCHEMBL29096558 0.82 ERN1 (0.49) ERN1MAPTALDH1A1HTTKDM4E
SCHEMBL29096559 0.82 ERN1 (0.49) ERN1MAPTALDH1A1HTTKDM4E
SCHEMBL29096566 0.82 EGFR (0.39) ERN1POLBMAPTHTTKDM4E
SCHEMBL5579245 0.81 ERN1 (0.55) ERN1POLBMAPTALDH1A1HTT

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-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed