SCHEMBL4554042

SCHEMBL4554042

COC(=O)c1ccc(-c2cc3cc(OC)ccc3n2C(=O)O)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
APP P05067 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
HPGDS O60760 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL3307205 0.86 NR1H2 (0.49) L3MBTL1AKR1C3AKR1C2CYP11B1CYP11B2
SCHEMBL1179665 0.76 CYP11B1 (0.66) CYP11B1CYP11B2KDM4EMAPK1RXFP1
SCHEMBL3242200 0.75 L3MBTL1 (0.45) L3MBTL1AKR1C3AKR1C2KDM4EMAPK1
SCHEMBL15347894 0.74 AKR1C3 (0.46) L3MBTL1AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL3303538 0.71 PDGFRB (0.48) L3MBTL1CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6714830 0.71 RXFP1 (0.75) L3MBTL1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL29597984 0.70 RXFP1 (0.56) L3MBTL1CYP11B1CYP11B2KDM4EMAPK1
SCHEMBL29651074 0.70 MAPK1 (0.69) L3MBTL1KDM4EMAPK1ALDH1A1RXFP1
SCHEMBL29651058 0.70 MAPK1 (0.69) L3MBTL1KDM4EMAPK1ALDH1A1RXFP1
SCHEMBL70712 0.70 MAPK1 (0.69) L3MBTL1KDM4EMAPK1ALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121655-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008108729-A1 NOVEL 2-HETEROARYL SUBSTITUTED INDOLES 695 ASTRAZENECA AB (SE) 2008-09-12 WO disclosed