SCHEMBL7533840

SCHEMBL7533840

Cc1cc(C(=O)OCc2ccccc2)cc(C)c1OC(=O)c1c2ccccc2nc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.40
DHODH Q02127 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL9631380 0.95 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3TOP2A
SCHEMBL5663425 0.91 LMNA (0.44) TDP1KMT2ASLC6A2SLC6A3TOP2A
SCHEMBL3034156 0.90 PLA2G2A (0.48) TDP1KMT2ATOP2ATOP2BMAPT
SCHEMBL7532967 0.90 TACR3 (0.47) TDP1KMT2ATOP2ATOP2BL3MBTL1
SCHEMBL7531961 0.90 PLA2G2A (0.48) TDP1KMT2ASLC6A2SLC6A3MAPT
SCHEMBL7539788 0.90 MEN1 (0.44) KMT2ATOP2ATOP2BMAPTL3MBTL1
SCHEMBL7562821 0.88 GRM1 (0.41) KMT2ATOP2ATOP2BMAPTLMNA
SCHEMBL4339220 0.87 MAPT (0.39) TDP1KMT2ASLC6A2SLC6A3TOP2A
SCHEMBL4183628 0.87 MAPT (0.39) TDP1KMT2ASLC6A2SLC6A3TOP2A
SCHEMBL7533851 0.87 MAPT (0.40) TDP1KMT2ASLC6A2SLC6A3TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed