SCHEMBL7154389

SCHEMBL7154389

COc1ccc(-c2cc3ccccc3n2C)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP4B1 P13584 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP3A5 P20815 1/20 0.47
CYP2A7 P20853 1/20 0.47

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
SCHEMBL28186785 0.84 KMT2A (0.61) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30444195 0.78 KMT2A (0.69) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3690560 0.78 KMT2A (0.69) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL16638211 0.77 HTR6 (0.51) KMT2AMEN1KDM4EALDH1A1RECQL
SCHEMBL14614655 0.77 MAPT (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL28275724 0.76 KMT2A (0.65) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL28187484 0.75 KMT2A (0.54) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL22245740 0.75 KDM4E (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL22245795 0.73 SCN9A (0.42) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL10103705 0.73 KMT2A (0.76) KMT2AMEN1MAPTKDM4EALDH1A1

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
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO disclosed