SCHEMBL5571402

SCHEMBL5571402

CCOC(=O)c1[nH]c2ccc(-c3ccc(C(F)(F)F)cn3)c(-c3ccc(OC(C)C)cc3)c2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CYP2C19 P33261 1/20 0.35
GCK P35557 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL5574783 0.92 KDM4E (0.44) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5571405 0.91 KDM4E (0.43) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5571417 0.91 KDM4E (0.43) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5574005 0.91 KDM4E (0.43) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5570203 0.91 KDM4E (0.43) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5267329 0.89 MCHR1 (0.35) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL5540873 0.89 KDM4E (0.42) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5272120 0.89 MCHR1 (0.34) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL5574197 0.88 KDM4E (0.41) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL5504444 0.86 KDM4E (0.40) KDM4EL3MBTL1MAPTMEN1KMT2A

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed