SCHEMBL3234030

SCHEMBL3234030

C/C(COc1ccccc1F)=C(/C)CC(C(=O)C(C)C)n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.38
FKBP1A P62942 1/20 0.38
ADRB2 P07550 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3232134 0.80 MAPK1 (0.41) MAPK1MAPTHPGDHTTFKBP1A
SCHEMBL3233085 0.73 MAPK1 (0.49) MAPK1MAPTKMT2AMEN1HSD17B10
SCHEMBL10666615 0.70 MAPT (0.55) MAPK1MAPTKMT2AMEN1HSD17B10
SCHEMBL2021950 0.70 MAPT (0.47) MAPTKMT2AMEN1POLBNPC1
SCHEMBL1966187 0.70 MAPT (0.47) MAPTKMT2AMEN1POLBNPC1
SCHEMBL10509423 0.69 MAPK1 (0.44) MAPK1MAPTFKBP1AKMT2AMEN1
SCHEMBL10666518 0.69 MAPT (0.53) MAPK1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL10666511 0.69 MAPT (0.53) MAPK1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3232029 0.68 MAPK1 (0.46) MAPK1MAPTKMT2AMEN1ALDH1A1
SCHEMBL10418070 0.67 MAPK1 (0.44) MAPK1MAPTKMT2AMEN1LMNA

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-2010029065-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed