SCHEMBL6914757

SCHEMBL6914757

CCN(CCCl)c1ccc(N=C2C=CC(=O)C(Cl)=C2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
IGLV6-57 P01721 2/20 0.33
S100B P04271 1/20 0.33
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
HTT P42858 2/20 0.31
RAD52 P43351 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31

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
SCHEMBL7049816 1.00 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5512970 0.92 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5512969 0.92 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6906678 0.90 MAPT (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL13088507 0.90 MAPT (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6906675 0.90 MAPT (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7053637 0.83 MEN1 (0.31) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6911448 0.82 ALDH1A1 (0.30) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7053644 0.81 ALDH1A1 (0.31) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6912711 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767809-B1 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING & MFG (US) 2004-01-21 EP disclosed
EP-0768860-B1 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING & MFG (US) 2003-04-23 EP disclosed
EP-0768860-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-23 EP disclosed
EP-0767809-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-04-16 EP disclosed
US-5583178-A ADDITION POLYMER AND A CURE INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-10 US disclosed
WO-1996000560-A2 DENTAL IMPRESSION MATERIAL WITH CURE-INDICATING DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed
WO-1996000745-A2 CURE-INDICATING MOLDING AND COATING COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed