SCHEMBL13985684

SCHEMBL13985684

COc1ccc2nc3ccccc3c3c2c1-c1cc(C(=O)OCc2ccccc2)cc(C)c1OC3=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 1/20 0.37
DHODH Q02127 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRKCZ Q05513 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13985680 0.90 MAPT (0.38) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3141368 0.73 TOP2A (0.43) ALDH1A1KDM4ELMNAMAPK1KMT2A
SCHEMBL3047145 0.73 PLA2G2A (0.46) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL25682702 0.68 TDP1 (0.57) ALDH1A1LMNAKMT2AMAPTNPC1
SCHEMBL9631380 0.68 TDP1 (0.47) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL7533851 0.68 MAPT (0.40) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL3034156 0.67 PLA2G2A (0.48) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL13223627 0.67 TOP2A (0.50) ALDH1A1KDM4ELMNAMAPK1KMT2A
SCHEMBL28510365 0.66 KMT2A (0.47) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL5663425 0.65 LMNA (0.44) ALDH1A1KDM4ELMNAKMT2AMAPT

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-7459284-B2 Chemiluminescent acridinium compounds and analogues thereof as substrates of hydrolytic enzymes SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-12-02 US disclosed