SCHEMBL22815946

SCHEMBL22815946

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Nc1ccc(-c2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.50
HPGD P15428 3/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
P2RX3 P56373 1/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL22815669 0.90 CYP19A1 (0.56) CYP19A1HPGDGABRA2GABRB2KDM4E
SCHEMBL22815947 0.90 AKR1C3 (0.45) MAPTKMT2AMEN1POLBGAA
SCHEMBL22816474 0.89 MEN1 (0.46) CYP19A1HPGDKDM4EMAPTALDH1A1
SCHEMBL22816547 0.87 CYP19A1 (0.47) CYP19A1HPGDGABRA2GABRB2KDM4E
SCHEMBL21296878 0.85 MEN1 (0.51) CYP19A1HPGDKDM4EMAPTALDH1A1
SCHEMBL22816685 0.85 CYP19A1 (0.46) CYP19A1HPGDGABRA2GABRB2MAPT
SCHEMBL22816677 0.85 CYP19A1 (0.64) CYP19A1HPGDGABRA2GABRB2KDM4E
SCHEMBL22816734 0.85 CYP19A1 (0.48) CYP19A1HPGDKDM4EMAPTALDH1A1
SCHEMBL22816573 0.84 MEN1 (0.49) CYP19A1HPGDKDM4EMAPTALDH1A1
SCHEMBL22816857 0.82 CYP19A1 (0.48) CYP19A1HPGDGABRA2GABRB2KDM4E

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