SCHEMBL26686708

SCHEMBL26686708

O=C(O)N1CC=Cc2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
P2RX4 Q99571 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL27534348 0.81
SCHEMBL28650157 0.78 BCHE (0.37) KDM4E
SCHEMBL8211209 0.72 HPGD (0.36) HPGDTSHRP2RX4KDM4EALDH1A1
SCHEMBL27620589 0.71
SCHEMBL3783557 0.70 P2RX4 (0.33) CYP2C9TSHRP2RX4KDM4EALDH1A1
Bicarbonate SCHEMBL4853459 0.68 CYP2B6 (0.41) KDM4EMEN1KMT2A
Bicarbonate SCHEMBL2467502 0.68 CYP2B6 (0.41) KDM4EMEN1KMT2A
SCHEMBL29376182 0.67 P2RX4 (0.44) TSHRP2RX4MEN1KMT2ALMNA
SCHEMBL3375661 0.67 P2RX4 (0.44) TSHRP2RX4MEN1KMT2ALMNA
Bicarbonate SCHEMBL8638184 0.67 CYP2B6 (0.40) KDM4EMEN1KMT2A

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
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed