SCHEMBL13633642

SCHEMBL13633642

Cn1c2ccccc2c(=O)c2ccc(/C=C/C=C/C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TLR9 Q9NR96 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.40

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
SCHEMBL13633603 0.79 ATM (0.55) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL13633572 0.76 ATM (0.55) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL13633641 0.75 ATM (0.50) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL12419784 0.72 GPR3 (0.57) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL85776 0.71 ATM (0.71) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL29361718 0.71 ATM (0.71) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL53107 0.71 GPR3 (0.71) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL29466066 0.71 GPR3 (0.71) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL28278675 0.70 ATM (0.66) ATMHSD17B10KDM4EALDH1A1HPGD
SCHEMBL25492651 0.69 AKR1C3 (0.48) ATMHSD17B10KDM4EALDH1A1HPGD

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
US-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed