SCHEMBL30829261

SCHEMBL30829261

COc1ccc2nc(O)c(OC(C(F)(F)F)C(F)(F)F)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
NQO2 P16083 1/20 0.46
TP53 P04637 2/20 0.40
MAPT P10636 4/20 0.39
THRB P10828 2/20 0.39
BLM P54132 2/20 0.39
CASP6 P55212 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL30829254 0.82 KDM4E (0.46) MEN1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL19073465 0.81 KMT2A (0.59) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL30829263 0.81 PABPC1 (0.34) MEN1KMT2AKDM4ETP53MAPT
SCHEMBL30829253 0.81 KDM4E (0.53) KDM4E
SCHEMBL30829264 0.81 MAPT (0.37) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30829256 0.79 CFTR (0.36) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL29187252 0.79 MEN1 (0.44) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL30717269 0.77 KMT2A (0.68) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL30717270 0.77 KMT2A (0.68) MEN1KMT2APOLBALDH1A1RAB9A
SCHEMBL1160711 0.77 KMT2A (0.68) MEN1KMT2APOLBALDH1A1RAB9A

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-117702139-A Method for synthesizing electrocatalytic fluoroalkoxy aryl ether compound 西华师范大学 2024-03-15 CN disclosed