SCHEMBL23930780

SCHEMBL23930780

Brc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2cc3ccccc3cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.42
PDK2 Q15119 1/20 0.40
CYP2A6 P11509 1/20 0.35
SIRT1 Q96EB6 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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 0.93 PDK2 (0.43) AHRPDK2CYP2A6SIRT1OPRM1
SCHEMBL31195909 0.93 PDK2 (0.43) AHRPDK2CYP2A6SIRT1OPRM1
SCHEMBL23930743 0.92 AHR (0.42) AHRPDK2CYP2A6SIRT1KDM4E
SCHEMBL19922303 0.90 AHR (0.42) AHRPDK2CYP2A6SIRT1KDM4E
SCHEMBL29569989 0.90 AHR (0.52) AHRPDK2SIRT1OPRM1OPRD1
SCHEMBL15713385 0.90 AHR (0.52) AHRPDK2SIRT1OPRM1OPRD1
SCHEMBL22651772 0.89 KDM4E (0.38) PDK2KDM4EMAPK1ATMMEN1
SCHEMBL15713470 0.87 PDK2 (0.47) AHRPDK2SIRT1OPRM1OPRD1
SCHEMBL29456779 0.87 PDK2 (0.47) AHRPDK2SIRT1OPRM1OPRD1
SCHEMBL17533938 0.87 AHR (0.50) AHRPDK2CYP2A6SIRT1OPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021215782-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 (KR) 2021-10-28 WO disclosed
WO-2021215782-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 (KR) 2021-10-28 WO disclosed