SCHEMBL3260157

SCHEMBL3260157

CC(C)(C)C(=O)Nc1cc(C2C[CH]C2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.39
TMIGD3 P0DMS9 1/20 0.39
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
F2 P00734 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
KDM5A P29375 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPY2R P49146 2/20 0.32

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
SCHEMBL3557551 0.83 FFAR2 (0.46) MAPTGAARAB9ASMN1; SMN2CCNA2
SCHEMBL3257731 0.83 L3MBTL1 (0.41) ADORA1HTTL3MBTL1MAPTHSD17B10
SCHEMBL3564741 0.81 CYP1A2 (0.51) L3MBTL1MAPTGAAMEN1KMT2A
SCHEMBL3244773 0.80 ALDH1A1 (0.35) ADORA1HSD17B10KDM5AMEN1KMT2A
SCHEMBL3256189 0.76 MEN1 (0.47) ADORA1HTTMEN1KMT2AHPGD
SCHEMBL3556396 0.75 ALOX15 (0.46) ADORA1HTTHSD17B10MEN1KMT2A
SCHEMBL3257632 0.75 ALOX15 (0.46) ADORA1HTTHSD17B10MEN1KMT2A
SCHEMBL3260122 0.75 CETP (0.39) ADORA1KDM5ANPY2R
SCHEMBL3256718 0.74 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL13827683 0.73 HTT (0.42) ADORA1HTTL3MBTL1MAPTF2

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-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP claimed