SCHEMBL5818645

SCHEMBL5818645

C=C(CCN=C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGFR P00533 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR4A2 P43354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 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
SCHEMBL28491311 0.81 L3MBTL1 (0.36) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL5820601 0.75 HDAC1 (0.36) CYP1A2
SCHEMBL7990104 0.75 MAOA (0.56) MAOAMAOBLMNAMAPTUSP2
SCHEMBL5487422 0.75 MAOA (0.44) MAOAMAOBLMNAMAPTUSP2
SCHEMBL28039877 0.74 L3MBTL1 (0.38) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10787835 0.73 MAOA (0.39) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL10456807 0.73 TDP1 (0.60) LMNAMAPTUSP2ALDH1A1POLB
Benzoic Acid SCHEMBL11127542 0.72 TSHR (0.54) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL5889400 0.71 MAOA (0.48) MAOAMAOBLMNAMAPTUSP2
SCHEMBL7855197 0.71 MAOA (0.48) MAOAMAOBLMNAMAPTUSP2

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
WO-2006068852-A1 SOLVENT RESISTANT IMAGEABLE ELEMENT EASTMAN KODAK COMPANY (US) 2006-06-29 WO disclosed
US-6969579-B1 top layer containing a co-polymer of an unsaturated compound containing an imide group and a comonomer selected from an acryl imides, acrylonitriles, acryalmides and acrylic acids; chemical resistance printing plate EASTMAN KODAK COMPANY (US) 2005-11-29 US disclosed
US-4607057-A Process for the preparation of beads of copolymers bearing reactive groups, by polymerization in suspension in a non-aqueous medium SOCIETE NATIONALE ELF AQUITAINE (FR) 1986-08-19 US disclosed