SCHEMBL23714062

SCHEMBL23714062

Cc1ccc(OC(F)(F)F)c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.44
PSMD14 O00487 1/20 0.44
COPS5 Q92905 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC40A1 Q9NP59 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
DYRK1A Q13627 1/20 0.42
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37

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
SCHEMBL26375275 0.87 PSMD14 (0.51) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL13036181 0.80 KMT2A (0.50) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL16852474 0.75 CYP1A2 (0.52) L3MBTL1KDM4EBRD4
SCHEMBL12180599 0.75 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL15171328 0.75 PSMD14 (0.51) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL812451 0.74 HTT (0.70) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL31179075 0.74 HSP90AA1 (0.51) MEN1KMT2AHTTSLC40A1L3MBTL1
SCHEMBL29862875 0.74 KMT2A (0.50) MEN1KMT2ASMN1; SMN2HTTSLC40A1
SCHEMBL19836985 0.74 KMT2A (0.50) MEN1KMT2ASMN1; SMN2HTTSLC40A1
SCHEMBL16132453 0.74 MAPT (0.47) MEN1KMT2ASMN1; SMN2HTTL3MBTL1

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-20210238415-A1 POLYMER, METAL REMOVAL COMPOSITION, AND METHOD OF REMOVING METAL IONS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-08-05 US disclosed