SCHEMBL23788465

SCHEMBL23788465

CCOC(=O)/C1=C/C2=C(c3cc(OC)c(OC)cc3OC2CSC)C(C2CC2)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
KCNK3 O14649 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23788556 0.90 PPARG (0.31) KMT2A
SCHEMBL23788455 0.82 PPARG (0.31) KDM4EALDH1A1KMT2A
SCHEMBL23788627 0.80 TSHR (0.33) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL23788552 0.80 PPARG (0.31) KMT2A
SCHEMBL23788409 0.75 HSP90AA1 (0.33) KDM4EALDH1A1SMN1; SMN2
SCHEMBL23788412 0.74 REN (0.31)
SCHEMBL23788408 0.73
SCHEMBL23788411 0.73 REN (0.31)
SCHEMBL23788534 0.73
SCHEMBL23788608 0.70 MEN1 (0.35) ALDH1A1KMT2A

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-3720857-B1 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2021-09-08 EP disclosed