SCHEMBL21880259

SCHEMBL21880259

COc1ccc(-c2ccc(OC)c(C3(Cl)c4ccccc4-c4ccccc43)c2)cc1C1(Cl)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.47
PTGS2 P35354 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
PTGS1 P23219 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
DUSP3 P51452 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACA Q13085 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
SCHEMBL21880258 0.80 PDK2 (0.54) PDK2KMT2A
SCHEMBL17069915 0.69 PDK2 (0.49) PDK2PTGS2PTGS1PTPRCPTPN1
SCHEMBL14939203 0.69 S100A4 (0.47) PDK2MEN1KMT2AL3MBTL1PTPRC
SCHEMBL20081106 0.69 PDK2 (0.63) PDK2PTPRCPTPN1ALDH1A1SMN1; SMN2
SCHEMBL14191206 0.69 CA1 (0.50) PDK2MEN1KMT2AL3MBTL1PTGS1
SCHEMBL10025081 0.67 PDK2 (0.50) PDK2PTPRCPTPN1ALDH1A1KDM4E
SCHEMBL10025087 0.67 PDK2 (0.50) PDK2PTPRCPTPN1ALDH1A1KDM4E
SCHEMBL10025096 0.67 PDK2 (0.50) PDK2PTPRCPTPN1ALDH1A1KDM4E
SCHEMBL18948661 0.67 PDK2 (0.65) PDK2L3MBTL1PTPN1MAPTNPC1
SCHEMBL21880255 0.66 S100A4 (0.42) PDK2MEN1KMT2AKDM4EMAPT

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
US-10604618-B2 Compound, method for manufacturing the compound, and composition for forming organic film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-31 US disclosed