SCHEMBL31195909

SCHEMBL31195909

Brc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc3ccccc3cc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
AHR P35869 3/20 0.42
CYP2A6 P11509 1/20 0.38
SIRT1 Q96EB6 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALPL P05186 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EGFR P00533 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 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
SCHEMBL19921848 1.00 PDK2 (0.43) PDK2AHRCYP2A6SIRT1OPRM1
SCHEMBL23930780 0.93 AHR (0.42) PDK2AHRCYP2A6SIRT1OPRM1
SCHEMBL19922303 0.91 AHR (0.42) PDK2AHRCYP2A6SIRT1MEN1
SCHEMBL29808736 0.91 AHR (0.50) PDK2AHRCYP2A6SIRT1OPRM1
SCHEMBL15321638 0.91 AHR (0.50) PDK2AHRCYP2A6SIRT1OPRM1
SCHEMBL23930743 0.90 AHR (0.42) PDK2AHRCYP2A6SIRT1MEN1
SCHEMBL20222317 0.88 PDK2 (0.47) PDK2AHRSIRT1OPRM1OPRD1
SCHEMBL29456779 0.88 PDK2 (0.47) PDK2AHRSIRT1OPRM1OPRD1
SCHEMBL15713470 0.88 PDK2 (0.47) PDK2AHRSIRT1OPRM1OPRD1
SCHEMBL25883223 0.86 PDK2 (0.36) PDK2AHRCYP2A6

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-112437770-B Organic light-emitting compound and organic electroluminescent element using same 索路思高新材料有限公司 2024-12-17 CN disclosed