SCHEMBL9323699

SCHEMBL9323699

CC(=O)OCc1ccc(C=C(C#N)C#N)o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.39
TP53 P04637 5/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL51038 0.79 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16205894 0.77 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2541634 0.76 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14381419 0.75 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31425126 0.75 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19220828 0.75 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL22697117 0.74 TP53 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9756802 0.74 POLB (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL28383522 0.74 POLB (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9999926 0.73 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293651-B1 Dicyanovinyl-substituted furan derivatives, process for their preparation, and their use SUEDZUCKER AG (DE) 1994-02-02 EP disclosed
US-5252757-A Dicyanoazulenyl and dicyanovinyl substituted furan SUDDEUTSCHE ZUCKER-AKTIENGSELLSCHAFT (DE) 1993-10-12 US disclosed
US-5091538-A DICYANOVINYLSUBSTITUTED FURAN DERIVATIVES SUDDEUTSCHE ZUCKER-AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0293651-A2 Dicyanovinyl-substituted furan derivatives, process for their preparation, and their use SÜDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 1988-12-07 EP disclosed