SCHEMBL6072669

SCHEMBL6072669

C[C@@H](C(=O)OCl)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.59
PTGS2 P35354 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
ABCC4 O15439 1/20 0.56
C5 P01031 1/20 0.56
PTGS1 P23219 1/20 0.56
PDE4D Q08499 1/20 0.56
CYP17A1 P05093 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HCRTR1 O43613 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44

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
SCHEMBL8189543 0.87 KIF11 (0.60) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL12286224 0.82 KIF11 (0.66) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL29760781 0.82 PTGS2 (0.70) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL498758 0.82 PTGS2 (0.70) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL31324198 0.77 PTGS2 (0.74) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL5111472 0.77 PTGS2 (0.74) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL11067278 0.77 KMT2A (0.66) KIF11PTGS2KMT2AMEN1MAPT
SCHEMBL11398303 0.76 PTGS2 (0.71) PTGS2KMT2AMEN1MAPTABCC4
SCHEMBL10892550 0.75 KIF11 (1.00) KIF11MAPTCYP17A1KDM4EALDH1A1
SCHEMBL1379147 0.75 KIF11 (0.59) KIF11KMT2AMEN1MAPTCYP17A1

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
WO-2006020850-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed
WO-2006020852-A2 PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2006-02-23 WO disclosed