SCHEMBL27628014

SCHEMBL27628014

NCc1ccc(C(=O)Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SRD5A2 P31213 2/20 0.62
STS P08842 1/20 0.57
PLAU P00749 2/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
S1PR5 Q9H228 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL27646618 0.94 PLAU (0.60) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL7129800 0.88 MAPT (0.80) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL27625881 0.85 LOXL2 (0.51) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL11635179 0.84 L3MBTL1 (0.69) MAPTL3MBTL1SRD5A2STSPLAU
Hydrochloric Acid SCHEMBL27462374 0.84 LOXL2 (0.50) MAPTL3MBTL1SRD5A2STSPLAU
Hydrochloric Acid SCHEMBL27462372 0.84 LOXL2 (0.54) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL24800 0.83 MAPT (0.73) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL7199268 0.83 MAPT (0.67) MAPTL3MBTL1SRD5A2STSPLAU
SCHEMBL13256390 0.83 RAB9A (0.71) MAPTL3MBTL1SRD5A2LOXL2RAB9A
SCHEMBL2755181 0.82 L3MBTL1 (0.67) MAPTL3MBTL1SRD5A2STSPLAU

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
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed