SCHEMBL30177008

SCHEMBL30177008

COc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.55
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR3 P46089 1/20 0.44
GAA P10253 1/20 0.43
PDE4D Q08499 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17439399 0.90 PDK2 (0.59) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL20414407 0.88 KMT2A (0.53) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL14584274 0.87 ESR1 (0.45) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16852583 0.85 PDE4D (0.42) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16996132 0.84 PDK2 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16596685 0.84 MAPT (0.46) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL30873770 0.84 MAPT (0.57) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL1702667 0.84 MAPT (0.57) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL14191207 0.84 ESR1 (0.46) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL17903090 0.83 OPRM1 (0.41) PDK2MEN1KMT2AKDM4ELMNA

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-115621528-B Pre-lithiation method of battery cathode, pre-lithiated cathode plate and lithium ion battery 比亚迪股份有限公司 2024-10-29 CN disclosed
CN-115621528-A Pre-lithiation method of battery negative electrode, pre-lithiation negative electrode sheet and lithium ion battery 比亚迪股份有限公司 2023-01-17 CN disclosed