SCHEMBL3240660

SCHEMBL3240660

CC1(C(O)C(CCCCOc2ccccc2F)n2cncn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL3245753 0.95 MAPK1 (0.47) MAPK1L3MBTL1TDP1DRD2KDM4E
SCHEMBL3266419 0.92 MAPK1 (0.40) MAPK1L3MBTL1TDP1DRD2KMT2A
SCHEMBL3233897 0.90 MAPK1 (0.38) MAPK1TDP1KMT2AMEN1CYP2C9
SCHEMBL10510759 0.90 MAPK1 (0.45) MAPK1L3MBTL1TDP1DRD2KDM4E
SCHEMBL10513953 0.90 MAPK1 (0.45) MAPK1L3MBTL1TDP1DRD2KDM4E
SCHEMBL3233841 0.88 MAPK1 (0.49) MAPK1L3MBTL1TDP1DRD2KDM4E
SCHEMBL3238214 0.88 MAPK1 (0.39) MAPK1DRD2GRM2
SCHEMBL3237508 0.86 MAPK1 (0.36) MAPK1TDP1KDM4EKMT2AMEN1
SCHEMBL2161013 0.82 MAPK1 (0.52) MAPK1L3MBTL1TDP1KDM4EKMT2A
SCHEMBL3233026 0.82 MAPK1 (0.51) MAPK1L3MBTL1TDP1KDM4EKMT2A

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-2010029066-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed