SCHEMBL3233085

SCHEMBL3233085

CCC(C)C(=O)C(CCCCOc1ccccc1F)n1cncn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM2 Q14416 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
LTB4R Q15722 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL10666615 0.84 MAPT (0.55) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3233026 0.80 MAPK1 (0.51) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3232029 0.79 MAPK1 (0.46) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL10509423 0.78 MAPK1 (0.44) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3230953 0.76 MAPK1 (0.51) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL2161013 0.74 MAPK1 (0.52) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3232108 0.74 MAPK1 (0.40) MAPK1KDM4EMEN1KMT2AUSP2
SCHEMBL3234030 0.73 MAPK1 (0.40) MAPK1L3MBTL1MEN1KMT2AHSD17B10
SCHEMBL10765806 0.73 MAPK1 (0.50) MAPK1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3226317 0.73 MAPK1 (0.38) MAPK1MAPT

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