SCHEMBL6789203

SCHEMBL6789203

COCC(=O)Nc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 8/20 0.47
GRM4 Q14833 2/20 0.47
GRM8 O00222 1/20 0.47
GRM5 P41594 1/20 0.47
GRM7 Q14831 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL6678591 0.74 MAPT (0.50) GRM1GRM4GRM8GRM5GRM7
SCHEMBL6787260 0.73 ALDH1A1 (0.52) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL31656350 0.69 TSHR (0.68) KMT2ATSHRPOLBALDH1A1SMN1; SMN2
SCHEMBL3843730 0.69 CYP3A4 (0.57) GRM1GRM4GRM8GRM5GRM7
SCHEMBL19388071 0.69 POLB (0.68) MEN1KMT2ATSHRPOLBL3MBTL1
SCHEMBL6683298 0.69 CYP3A4 (0.60) GRM1GRM4MEN1KMT2APOLB
SCHEMBL8082773 0.68 GRM1 (0.43) GRM1GRM4GRM8GRM5GRM7
SCHEMBL8082768 0.68 GRM1 (0.43) GRM1GRM4GRM8GRM5GRM7
SCHEMBL5388798 0.68 PPOX (0.56) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL27534127 0.67 POLB (0.62) GRM1MEN1KMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed