SCHEMBL7787045

SCHEMBL7787045

COc1ccc2c(c1)C(C(=O)Oc1c(F)ccc(F)c1F)c1ccccc1N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CPS1 P31327 2/20 0.32
EGFR P00533 1/20 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
SCHEMBL7787073 0.94 ALDH1A1 (0.38) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL914119 0.94 HDAC4 (0.39) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL29382936 0.89 HDAC4 (0.48) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL3859311 0.89 HDAC4 (0.48) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7591680 0.88 SLC6A2 (0.37) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL7787007 0.86 MEN1 (0.41) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL38663301 0.84 HDAC4 (0.41) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7592395 0.82 TAS1R3 (0.34) MAPTMEN1KMT2ACYP1A2SMN1; SMN2
SCHEMBL6024855 0.82 MAPT (0.34) MAPTSMN1; SMN2NPC1POLBHTT
SCHEMBL8741716 0.82 SMN1; SMN2 (0.39) MAPTMEN1KMT2AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US claimed
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO claimed
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
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