SCHEMBL29096550

SCHEMBL29096550

COc1ccc(C/C(=C\c2cc(Cl)ccc2O)[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
KLK7 P49862 1/20 0.39
POLB P06746 1/20 0.39
ERN1 O75460 2/20 0.39
MAOB P27338 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL29096551 1.00 MEN1 (0.50) MEN1KMT2AL3MBTL1ABL1ABCB1
SCHEMBL29096561 0.90 MEN1 (0.46) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL29096560 0.90 MEN1 (0.46) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL29096535 0.89 ERN1 (0.45) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL29096531 0.89 ERN1 (0.45) MEN1KMT2AL3MBTL1MAPTTDP1
SCHEMBL29096521 0.88 CA1 (0.43) MEN1KMT2AL3MBTL1ABL1ABCB1
SCHEMBL29096524 0.88 CA1 (0.43) MEN1KMT2AL3MBTL1ABL1ABCB1
SCHEMBL29096542 0.84 MEN1 (0.45) MEN1KMT2AMAPTTDP1POLB
SCHEMBL29096538 0.84 MEN1 (0.45) MEN1KMT2AMAPTTDP1POLB
SCHEMBL29096536 0.84 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1MAPTLMNA

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