SCHEMBL30168902

SCHEMBL30168902

Nc1c(F)cc(N2CCOCC2)c(F)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LGMN Q99538 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.42
HPGD P15428 4/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 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
SCHEMBL21000994 1.00 MAPT (0.45) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL30168906 0.79 MAPT (0.50) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL21032115 0.79 MAPT (0.50) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24196356 0.79 SMN1; SMN2 (0.49) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL2062687 0.79 GAA (0.45) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL518889 0.76 ALDH1A1 (0.50) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL2376896 0.76 LGMN (0.49) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL22684291 0.75 LGMN (0.53) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL29744988 0.74 LGMN (0.51) MAPTGAASMN1; SMN2LGMNALDH1A1
SCHEMBL19212240 0.74 SMN1; SMN2 (0.46) MAPTGAASMN1; SMN2LGMNALDH1A1

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-111655690-B Pyrazolopyridinone compounds 詹森药业有限公司 2023-01-10 CN disclosed