SCHEMBL28928675

SCHEMBL28928675

Oc1ccccc1-c1nc2c3ncccc3c3ncccc3c2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
GAA P10253 2/20 0.67
ALDH1A1 P00352 2/20 0.67
IDO1 P14902 2/20 0.67
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
GLA P06280 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
RECQL P46063 1/20 0.67
TDO2 P48775 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 1/20 0.67
ATM Q13315 1/20 0.67
PDE5A O76074 2/20 0.54
HPGD P15428 3/20 0.47
GUSB P08236 1/20 0.47
MGAM O43451 2/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46

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
SCHEMBL29930654 0.96 KDM4E (0.73) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL2062319 0.96 KDM4E (0.73) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL28295235 0.85 KDM4E (0.55) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL30516133 0.80 KDM4E (1.00) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL20211621 0.80 KDM4E (1.00) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL28061757 0.80 MEN1 (0.52) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL21180300 0.79 GAA (0.50) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL21180250 0.78 PTGES (0.49) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL21180297 0.78 PTGES (0.73) KDM4EGAAALDH1A1IDO1MEN1
SCHEMBL19233099 0.78 PTGES (0.49) KDM4EGAAALDH1A1IDO1MEN1

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
CN-112851717-B ruthenium-LHRH coupled diagnosis and treatment probe for targeted ovarian cancer and preparation method and application thereof 广东药科大学 2022-10-25 CN disclosed