SCHEMBL6584296

SCHEMBL6584296

O=C(Oc1c(F)ccc(F)c1F)c1c2ccccc2nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 5/20 0.39
PDE10A Q9Y233 3/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
GRM2 Q14416 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
DHODH Q02127 1/20 0.37
TACR3 P29371 2/20 0.37
GLA P06280 2/20 0.37
ADRA2A P08913 1/20 0.36
MCHR1 Q99705 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7795326 0.88 KMT2A (0.44) KMT2AMEN1LMNAKDM4EPDE10A
SCHEMBL6584034 0.87 GRM2 (0.45) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL7796549 0.87 GRM2 (0.45) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL8686701 0.86 DHODH (0.40) KMT2AMEN1KDM4EMAPTGRM2
SCHEMBL8333267 0.84 RAB9A (0.41) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL8686420 0.82 ALDH1A1 (0.41) KMT2AMEN1KDM4EPOLBMAPT
Trifluoromethanesulfonic Acid SCHEMBL6584038 0.80 GRM2 (0.40) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL7047504 0.80 KMT2A (0.47) KMT2AMEN1KDM4EPOLBMAPT
SCHEMBL7793772 0.79 DHODH (0.45) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL7050407 0.77 GRM2 (0.48) KMT2AMEN1KDM4EPDE10APOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778947-B1 CHEMILUMINESCENT DETECTION OF HYDROLYTIC ENZYMES USING AN ACRIDAN LUMIGEN INC (US) 2004-05-12 EP disclosed
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5686258-A Chemiluminescent detection of hydrolytic enzymes using an acridan LUMIGEN, INC. (US) 1997-11-11 US disclosed
CN-1156506-A Chemiluminescent detection using 9, 10-acridan hydrolase LUMIGEN CO LTD (US) 1997-08-06 CN disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed