SCHEMBL3266419

SCHEMBL3266419

CC1(C(O)C(CCCCOc2cccc(F)c2F)n2cncn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
GRM2 Q14416 2/20 0.35
DRD2 P14416 1/20 0.32
CTSB P07858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDO1 P14902 2/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CYP19A1 P11511 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3238214 0.95 MAPK1 (0.39) MAPK1GRM2DRD2CTSB
SCHEMBL3240660 0.92 MAPK1 (0.49) MAPK1GRM2DRD2MEN1KMT2A
SCHEMBL3237661 0.89 MAPK1 (0.40) MAPK1GRM2CTSBMEN1KMT2A
SCHEMBL3245753 0.88 MAPK1 (0.47) MAPK1GRM2DRD2MEN1KMT2A
SCHEMBL3233897 0.86 MAPK1 (0.38) MAPK1GRM2MEN1KMT2ACYP19A1
SCHEMBL2170715 0.85 MAPK1 (0.44) MAPK1GRM2MEN1KMT2AUSP2
SCHEMBL10513953 0.82 MAPK1 (0.45) MAPK1GRM2DRD2MEN1KMT2A
SCHEMBL3237508 0.82 MAPK1 (0.36) MAPK1GRM2MEN1KMT2ACYP19A1
SCHEMBL10510759 0.82 MAPK1 (0.45) MAPK1GRM2DRD2MEN1KMT2A
SCHEMBL3233841 0.80 MAPK1 (0.49) MAPK1DRD2MEN1KMT2AUSP2

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