SCHEMBL3230953

SCHEMBL3230953

CCCCC(O)C(CCCCOc1ccccc1F)n1cncn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
PPARG P37231 2/20 0.35
FAAH O00519 3/20 0.34

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
SCHEMBL3233026 0.85 MAPK1 (0.51) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL2161013 0.84 MAPK1 (0.52) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL3240660 0.82 MAPK1 (0.49) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL3233841 0.80 MAPK1 (0.49) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL3245753 0.79 MAPK1 (0.47) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL2170715 0.78 MAPK1 (0.44) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL10513953 0.78 MAPK1 (0.45) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL10510759 0.78 MAPK1 (0.45) MAPK1L3MBTL1TDP1KDM4EMEN1
SCHEMBL3237155 0.77 MAPK1 (0.39) MAPK1TDP1MEN1KMT2ACYP1A2
SCHEMBL2315369 0.76 MAPK1 (0.41) MAPK1TDP1MEN1KMT2ACYP2C9

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