SCHEMBL2599797

SCHEMBL2599797

CCOc1ccc(-c2ccc(F)cc2)c(C=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 3/20 0.38
PTPRC P08575 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MAPK1 P28482 2/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL3614065 0.86 ERN1 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1242705 0.79 DRD1 (0.48) MAPTALDH1A1LMNAKMT2ANPSR1
SCHEMBL10019959 0.78 L3MBTL1 (0.39) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL22269634 0.78 DRD1 (0.47) MAPTALDH1A1KMT2ANPSR1GAA
SCHEMBL10019784 0.77 CTSS (0.48) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL2963995 0.77 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL18003639 0.76 ALDH1A1 (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10019788 0.75 LMNA (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL10010397 0.75 LMNA (0.44) MAPTALDH1A1LMNANPSR1HTT
SCHEMBL19621837 0.75 LMNA (0.44) MAPTALDH1A1LMNAMEN1KMT2A

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-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed