SCHEMBL9420554

SCHEMBL9420554

O=C=Nc1cccc(C(=O)OCCOCCOCCOCCOC(=O)c2cccc(N=C=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
SERPINE1 P05121 3/20 0.44
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC7A5 Q01650 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
SCHEMBL11557416 0.85 CYP1A2 (0.50) SMN1; SMN2TDP1LMNATSHR
SCHEMBL445504 0.84 CYP4F2 (0.50) SMN1; SMN2TDP1LMNATSHRCYP4F2
SCHEMBL30427003 0.84 CYP4F2 (0.50) SMN1; SMN2TDP1LMNATSHRCYP4F2
SCHEMBL8871326 0.83 LMNA (0.38) SMN1; SMN2SERPINE1TDP1LMNATSHR
SCHEMBL9420499 0.81 SERPINE1 (0.49) SMN1; SMN2SERPINE1TDP1LMNATSHR
SCHEMBL9420514 0.81 SERPINE1 (0.49) SMN1; SMN2SERPINE1TDP1LMNATSHR
SCHEMBL9420474 0.81 SERPINE1 (0.49) SMN1; SMN2SERPINE1TDP1LMNATSHR
SCHEMBL8066511 0.80 TDP1 (0.59) SMN1; SMN2TDP1LMNAKMT2A
SCHEMBL7613584 0.80 CYP3A4 (0.46) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL40349 0.78 CYP4F2 (0.51) SMN1; SMN2TSHRCYP4F2CYP4A11CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328585-B1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC (US) 1994-09-07 EP disclosed
EP-0328585-A4 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES 1991-06-05 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4829099-A SURGERY, POLYISOCYANATES, POLYISOTHIOCYANATES BIORESEARCH, INC. (US) 1989-05-09 US disclosed
WO-1989000589-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH, INC. (US) 1989-01-26 WO disclosed