SCHEMBL31355591

SCHEMBL31355591

O=C1Nc2c(ccc(F)c2F)C1(O)c1ccc2c(c1)OCC2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
BRD4 O60885 2/20 0.34
SCN9A Q15858 4/20 0.33
KAT6A Q92794 1/20 0.33
ERN1 O75460 1/20 0.32
CSNK2A2 P19784 1/20 0.30
CLK1 P49759 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
AKR1B10 O60218 1/20 0.30
MAPT P10636 1/20 0.30
AKR1A1 P14550 1/20 0.30
AKR1B1 P15121 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
SCHEMBL31185014 0.82 CNR1 (0.41) KAT6AERN1
SCHEMBL3096321 0.80 POLB (0.47) POLBCASP6BRD4SCN9A
SCHEMBL31185005 0.80 POLB (0.41) POLBCASP6BRD4
SCHEMBL31184962 0.76 POLB (0.40) POLBCASP6BRD4
SCHEMBL3088897 0.75 POLB (0.52) POLBCASP6BRD4AKR1B10MAPT
SCHEMBL31184689 0.75 CNR1 (0.40) BRD4ERN1CSNK2A2CLK1CSNK2B
SCHEMBL5478134 0.74 POLB (0.41) POLBCASP6BRD4AKR1B1
SCHEMBL3096324 0.74 POLB (0.48) POLBCASP6BRD4
SCHEMBL31184813 0.73 POLB (0.40) POLBCASP6BRD4
SCHEMBL31355602 0.72 BRD4 (0.36) POLBCASP6BRD4SCN9AAKR1B10

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-119330941-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2025-01-21 CN disclosed