SCHEMBL8977022

SCHEMBL8977022

CCN1C(=O)C(=C2C=C(C=Cc3ccc(N(CCO)CCO)cc3)CC(C)(C)C2)C(=O)N(CC)C1=S

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYBB P04839 1/20 0.30
NOX4 Q9NPH5 1/20 0.30

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
SCHEMBL21678294 0.78 KMT2A (0.50) MEN1KMT2AALDH1A1
SCHEMBL12521242 0.78 KMT2A (0.50) MEN1KMT2AALDH1A1
SCHEMBL8977050 0.73 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL21708185 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL8844211 0.69 MEN1 (0.48) MEN1KMT2ARXFP1ALDH1A1
SCHEMBL11533642 0.67 MAPT (0.46) MEN1KMT2AALDH1A1
SCHEMBL11533647 0.67 MAPT (0.46) MEN1KMT2AALDH1A1
SCHEMBL14328150 0.65 CHRM2 (0.31)
SCHEMBL7718268 0.64 APP (0.42) MEN1KMT2AALDH1A1
SCHEMBL9915630 0.64 APP (0.42) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US disclosed
EP-0645413-A1 Non-linear optically active polycarbonate Akzo Nobel N.V. (NL) 1995-03-29 EP disclosed