SCHEMBL7046013

SCHEMBL7046013

CN1c2ccccc2C(C(=O)Oc2cccc(OS(=O)(=O)C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
DRD4 P21917 3/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL4804624 0.91 HDAC4 (0.40) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL4798227 0.90 HDAC4 (0.44) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL5705543 0.86 DRD2 (0.39) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL28319597 0.82 HDAC4 (0.48) HDAC4HDAC7HDAC5L3MBTL1EGFR
SCHEMBL7024588 0.81 DRD2 (0.37) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL30132855 0.81 HDAC4 (0.55) HDAC4HDAC7HDAC5L3MBTL1EGFR
SCHEMBL2218308 0.81 HDAC4 (0.55) HDAC4HDAC7HDAC5L3MBTL1EGFR
SCHEMBL7787043 0.81 DRD2 (0.38) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL8332153 0.80 HDAC4 (0.49) HDAC4HDAC7HDAC5DRD2DRD1
SCHEMBL7045526 0.79 CYP3A4 (0.49) HDAC4HDAC7HDAC5L3MBTL1EGFR

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-0625510-B1 Novel N-alkylacridan carboxyl derivatives useful for chemiluminescent detection LUMIGEN INC (US) 2003-04-02 EP disclosed
US-5491072-A N-alkylacridan carboxyl derivatives useful for chemiluminescent detection LUMIGEN, INC. (US) 1996-02-13 US disclosed
WO-1994026927-A1 NOVEL N-ALKYLACRIDAN CARBOXYL DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1994-11-24 WO disclosed
EP-0625510-A2 Novel N-alkylacridan carboxyl derivatives useful for chemiluminescent detection LUMIGEN, INC. (US) 1994-11-23 EP disclosed