SCHEMBL28496256

SCHEMBL28496256

O=c1cc(I)c(F)cn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
P2RX7 Q99572 7/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.41
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 1/20 0.39
CYP1A2 P05177 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
SCHEMBL28487784 0.82 MAPK14 (0.44) MAPK14P2RX7HTTMEN1KMT2A
SCHEMBL28500694 0.81 CHRM1 (0.50) P2RX7MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28486486 0.81 HPGD (0.53) MAPK14P2RX7HTTMEN1KMT2A
SCHEMBL28494973 0.75 MAPK14 (0.45) MAPK14P2RX7HTTMEN1KMT2A
SCHEMBL19939512 0.73 BRD4 (0.53) SMN1; SMN2L3MBTL1BRD4BRD2BRD3
SCHEMBL10017252 0.73 MAPK14 (0.51) MAPK14HTTKMT2ABRD4BRD2
SCHEMBL17420665 0.73 BRD4 (0.53) MAPK14SMN1; SMN2BRD4BRD2BRD3
SCHEMBL27383587 0.71 MAPK14 (0.58) MAPK14HTTMEN1KMT2ASMN1; SMN2
SCHEMBL28494571 0.71 BRD4 (0.45) MAPK14P2RX7L3MBTL1BRD4BRD2
SCHEMBL5115615 0.69 HPGD (0.67) MEN1KMT2ACYP1A2HPGD

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-111925320-A Method for efficiently synthesizing polysubstituted 2-pyridone compound 武汉大学 2020-11-13 CN disclosed