SCHEMBL22816619

SCHEMBL22816619

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(C2CCC(F)(F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP19A1 P11511 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
UCHL1 P09936 1/20 0.40
POLB P06746 2/20 0.40
CNR2 P34972 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 2/20 0.39
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL26086645 0.90 ALOX15 (0.41) KDM4EHPGDSMN1; SMN2POLBCNR2
SCHEMBL22816248 0.89 ALDH1A1 (0.45) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL22816618 0.89 CNR2 (0.42) KDM4EHPGDPOLBCNR2RXFP1
SCHEMBL22816617 0.89 UCHL1 (0.40) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL25463564 0.89 KDM4E (0.45) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL22816846 0.88 KDM4E (0.43) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL22816623 0.88 KDM4E (0.43) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL22816812 0.86 CYP19A1 (0.43) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL25465650 0.86 KDM4E (0.43) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1
SCHEMBL22815996 0.85 KDM4E (0.45) KDM4EHPGDCYP19A1SMN1; SMN2UCHL1

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-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed