SCHEMBL29897944

SCHEMBL29897944

COc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.52
GPR3 P46089 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL28854435 1.00 PDK2 (0.52) PDK2GPR3MEN1KMT2AGAA
SCHEMBL17929525 0.87 PDK2 (0.41) PDK2GPR3MEN1KMT2AGAA
SCHEMBL17923604 0.86 PDK2 (0.43) PDK2MEN1KMT2ABACE1CYP1A2
SCHEMBL16852583 0.85 PDE4D (0.42) PDK2MEN1KMT2AKDM4ENPC1
SCHEMBL783463 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6
SCHEMBL996751 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6
SCHEMBL29511719 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6
SCHEMBL29397249 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6
SCHEMBL783450 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6
SCHEMBL29602609 0.85 PDK2 (0.58) PDK2MEN1KMT2ACYP1A2CYP2A6

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
CN-115141107-B Compound and organic electroluminescent device, display device 阜阳欣奕华新材料科技股份有限公司 2025-05-02 CN disclosed
CN-115141107-A Compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2022-10-04 CN disclosed