SCHEMBL28909397

SCHEMBL28909397

O=C(O)c1cc2ccccc2c(C(=O)c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
GLA P06280 1/20 0.58
HPGD P15428 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GPR35 Q9HC97 2/20 0.50
AKR1C3 P42330 1/20 0.50
POLB P06746 1/20 0.50
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
CDC25B P30305 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48

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
SCHEMBL1667099 0.91 ALDH1A1 (0.55) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28909399 0.88 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL6535489 0.86 CYP2D6 (0.60) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28652 0.83 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL30354048 0.83 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL31401681 0.83 MEN1 (0.70) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL31177917 0.83 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL212463 0.83 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL10417205 0.81 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1CYP1A2
Rubidium SCHEMBL31214990 0.81 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1CYP1A2

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-115297858-A Pharmaceutical composition for treating hypertrophic cardiomyopathy and treatment method using same 赛特瑞恩股份有限公司 2022-11-04 CN disclosed