SCHEMBL7425562

SCHEMBL7425562

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(C(=O)C3CC3)oc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 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
SCHEMBL7055321 0.83 MAPT (0.43) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7055317 0.83 MAPT (0.43) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7055316 0.83 MAPT (0.43) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7050093 0.80 PDE4A (0.48) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL6605220 0.80 KMT2A (0.42) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL6606907 0.80 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL6609206 0.79 ALDH1A1 (0.45) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7050590 0.79 RAB9A (0.43) ALDH1A1KMT2ARAB9AL3MBTL1MAPT
SCHEMBL7423948 0.78 PDE4D (0.48) ALDH1A1MAPTKDM4ELMNAPDE4A
SCHEMBL7429380 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTKDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO disclosed