SCHEMBL6861147

SCHEMBL6861147

COC(=O)c1cccc(Cn2nc(C(F)(F)F)c3c2OCCC3)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.48
MAPT P10636 4/20 0.43
MAPK10 P53779 1/20 0.43
POLB P06746 3/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 2/20 0.42
PARP1 P09874 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL6864318 0.89 KDM4E (0.44) MAPTPOLBMRGPRX4SMN1; SMN2MEN1
SCHEMBL6861702 0.89 MAPT (0.43) MAPTPOLBTP53PARP1MRGPRX4
SCHEMBL6861498 0.87 GRIA2 (0.44) MAPTPOLBTP53LMNA
SCHEMBL1007201 0.84 POLB (0.56) MAPTPOLBTP53TSHRSMN1; SMN2
SCHEMBL6860844 0.79 CYP2C19 (0.43) MAPTPOLBTP53SMN1; SMN2MEN1
SCHEMBL6862770 0.79 SMN1; SMN2 (0.39) MAPTPOLBTP53TSHRSMN1; SMN2
SCHEMBL6860475 0.78 LMNA (0.44) MAPTPOLBTP53TSHRSMN1; SMN2
SCHEMBL6861342 0.77 GRIA2 (0.54) MAPTPOLBTP53TSHRLMNA
SCHEMBL1009106 0.73 GRIA2 (0.54) MAPTPOLBTP53TSHRSMN1; SMN2
SCHEMBL1007029 0.72 LMNA (0.56) MAPTPOLBTP53TSHRLMNA

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-2011036889-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-03-31 WO disclosed