SCHEMBL3367673

SCHEMBL3367673

COC(=O)Oc1c2cccc(-c3cc(Cl)ccc3Cl)c2nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
AGPAT2 O15120 1/20 0.36
CRHR1 P34998 3/20 0.36
PKM P14618 1/20 0.35
S1PR2 O95136 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3364228 0.91 CRHR1 (0.46) CRHR1ALDH1A1KDM4EGAAHPGD
SCHEMBL3363110 0.82 KDM4E (0.41) S1PR4MEN1KMT2AHTTAGPAT2
SCHEMBL3367593 0.79 CRHR1 (0.44) CRHR1PKMALDH1A1KDM4EGAA
SCHEMBL3364763 0.78 CRHR1 (0.44) CRHR1
SCHEMBL3363718 0.78 GABRG2 (0.42) ALDH1A1HPGDSMN1; SMN2
SCHEMBL3366144 0.78 ALDH1A1 (0.39) S1PR4MEN1KMT2AHTTCRHR1
SCHEMBL3365035 0.77 TP53 (0.39) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL3364346 0.77 GABRG2 (0.43) KMT2AL3MBTL1HSD17B10
SCHEMBL3368213 0.77 GABRG2 (0.51) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL3365864 0.77 CRHR1 (0.44) MEN1KMT2AHTTCRHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed