SCHEMBL3238154

SCHEMBL3238154

CC1(C(=O)C(CCCCOc2ccc(F)cc2F)n2cncn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
PDE4D Q08499 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34
GRM2 Q14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MET P08581 2/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3245750 0.95 MAPK1 (0.36) MAPK1PDE4DKMT2AMEN1USP2
SCHEMBL3232108 0.87 MAPK1 (0.40) MAPK1PDE4DKMT2AMEN1USP2
SCHEMBL3232029 0.86 MAPK1 (0.46) MAPK1KMT2AMEN1USP2TSHR
SCHEMBL3236033 0.83 MAPK1 (0.38) MAPK1KMT2AMEN1USP2TSHR
SCHEMBL3226317 0.82 MAPK1 (0.38) MAPK1BRD4ALDH1A1MAPT
SCHEMBL10509423 0.81 MAPK1 (0.44) MAPK1KMT2AMEN1USP2TSHR
SCHEMBL3233897 0.80 MAPK1 (0.38) MAPK1KMT2AMEN1GRM2MET
SCHEMBL3237508 0.78 MAPK1 (0.36) MAPK1KMT2AMEN1GRM2MET
SCHEMBL3235712 0.77 HRH3 (0.41) KDM4E
SCHEMBL3264017 0.76 MAPK1 (0.40) MAPK1KMT2AMEN1USP2TSHR

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