SCHEMBL7785504

SCHEMBL7785504

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.40
BACE1 P56817 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
HSPB1 P04792 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
SCHEMBL7785707 0.89 MAPT (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7780524 0.83 SMN1; SMN2 (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7780564 0.83 MAPK1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7785152 0.83 MAPK1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7780319 0.81 CYP2D6 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7785020 0.81 GAA (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7785507 0.79 MAPT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7789422 0.79 ABCB1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7780620 0.78 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7780373 0.77 LMNA (0.48) MEN1KMT2AMAPTALDH1A1LMNA

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