SCHEMBL7429369

SCHEMBL7429369

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(COC3CCN(C)CC3)oc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL6609206 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL7050093 0.81 PDE4A (0.48) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL7420398 0.81 PDE4D (0.39)
SCHEMBL7425562 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6605271 0.75 KMT2A (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6606907 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6605220 0.74 KMT2A (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7432082 0.73 UTS2R (0.37) MAPT
SCHEMBL7429380 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7055317 0.71 MAPT (0.43) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2

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