SCHEMBL9607482

SCHEMBL9607482

CCC(O)c1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSPB1 P04792 1/20 0.46
HRH3 Q9Y5N1 4/20 0.44
MMP13 P45452 2/20 0.41
ACACB O00763 6/20 0.41
ACACA Q13085 4/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL9607474 0.85 PDE2A (0.42) ALDH1A1ACACBACACA
SCHEMBL12808386 0.84 MEN1 (0.53) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL14997990 0.80 KDM4E (0.58) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL14831238 0.78 KDM4E (0.59) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL27295625 0.78 KDM4E (0.59) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL16762977 0.77 LMNA (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL22585573 0.75 LMNA (0.38) L3MBTL1ALDH1A1
SCHEMBL12967186 0.74 MEN1 (0.58) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL1978021 0.74 LMNA (0.60) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL2632364 0.74 LMNA (0.60) MEN1KMT2AKDM4EALDH1A1HTT

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
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed