SCHEMBL30933461

SCHEMBL30933461

O=c1cc(-c2ccc(O)c3ccccc23)oc2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.75
KDM4E B2RXH2 5/20 0.75
CYP3A4 P08684 5/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
CYP2C9 P11712 3/20 0.75
CYP2C19 P33261 3/20 0.75
AKR1C3 P42330 1/20 0.74
AKR1C2 P52895 1/20 0.74
AKR1C1 Q04828 1/20 0.74
MAPT P10636 3/20 0.68
ALOX15 P16050 3/20 0.68
TP53 P04637 3/20 0.68
HSD17B10 Q99714 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
CYP2D6 P10635 2/20 0.68
ALOX12 P18054 1/20 0.68
RECQL P46063 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.66
TNKS O95271 6/20 0.66

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
SCHEMBL1772778 0.88 HPGD (0.78) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL4650047 0.86 HPGD (1.00) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL312255 0.85 AKR1C3 (1.00) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL16670860 0.84 HPGD (0.81) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL29370223 0.84 HPGD (0.81) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL21704894 0.83 HPGD (0.74) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL15676335 0.83 HPGD (0.74) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL9080220 0.83 AKR1C3 (0.72) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL21704890 0.82 AKR1C3 (0.71) HPGDKDM4ECYP3A4MEN1KMT2A
SCHEMBL722615 0.81 HPGD (1.00) HPGDKDM4ECYP3A4MEN1KMT2A

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-2024112731-A1 FLAVONES, QUINOLINONES, QUINAZOLINONES, AND AURONES, AND USES IN CK2-MEDIATED DISEASES SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2024-05-30 WO disclosed