SCHEMBL7785707

SCHEMBL7785707

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cc([N+](=O)[O-])ccc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.40
BACE1 P56817 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7780524 0.93 SMN1; SMN2 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7785020 0.93 GAA (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7785507 0.90 MAPT (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7785504 0.89 MEN1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7785104 0.88 GAA (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7787701 0.83 MAPK1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7780352 0.83 MAPK1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7787867 0.83 MAPK1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7785661 0.82 MAPK1 (0.39) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7787455 0.82 CYP2D6 (0.39) MAPTMEN1KMT2AALDH1A1LMNA

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed