SCHEMBL5511033

SCHEMBL5511033

O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(Cl)cc1Cl

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.54
GRM1 Q13255 1/20 0.54
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL5515973 0.88 GAA (0.48) GRM4GRM1GAAMEN1KMT2A
SCHEMBL14494309 0.87 GRM4 (0.44) GRM4GRM1GAAMEN1KMT2A
SCHEMBL5512721 0.85 TSHR (0.55) GRM4GRM1GAAMEN1KMT2A
SCHEMBL3189092 0.83 GRM4 (0.49) GRM4GRM1GAAMEN1KMT2A
SCHEMBL3204693 0.83 GRM4 (0.49) GRM4GRM1GAAMEN1KMT2A
SCHEMBL5515014 0.81 MEN1 (0.61) GRM4GRM1MEN1KMT2ATSHR
SCHEMBL3190761 0.79 MEN1 (0.67) GAAMEN1KMT2ATSHRCYP3A4
SCHEMBL3493993 0.77 L3MBTL1 (0.52) GRM4GRM1MEN1KMT2AMAPT
SCHEMBL3190257 0.77 CA1 (0.65) KMT2ATSHRMAPTCYP3A4CYP2C19
SCHEMBL4590679 0.77 CA1 (0.65) KMT2ATSHRMAPTCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7230058-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-06-12 US disclosed
US-7157523-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-01-02 US disclosed
US-7157523-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-01-02 US disclosed
US-7157523-B2 Ring-opened polynorbornenes JSR CORPORATION (JP) 2007-01-02 US disclosed
US-20060189771-A1 Ring-opened polynorbornenes JSR CORPORATION (JP) 2006-08-24 US disclosed
US-20060041092-A1 Ring-opened polynorbornenes JSR CORPORATION (JP) 2006-02-23 US disclosed