SCHEMBL6862770

SCHEMBL6862770

C=C(OC)c1ccc(Cn2nc(C(F)(F)F)c3c2OCCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 8/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 5/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
GRIA2 P42262 1/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL6860844 0.84 CYP2C19 (0.43) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6860475 0.83 LMNA (0.44) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6861342 0.82 GRIA2 (0.54) MAPTPOLBLMNATSHRGAA
SCHEMBL6861147 0.79 ABHD6 (0.48) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6864318 0.75 KDM4E (0.44) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6861702 0.75 MAPT (0.43) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6861498 0.73 GRIA2 (0.44) MAPTPOLBLMNATP53CYP2C19
SCHEMBL15491619 0.69 LMNA (0.48) SMN1; SMN2MAPTLMNATSHRGAA
SCHEMBL6861919 0.68 MAPT (0.52) SMN1; SMN2MAPTPOLBLMNAMEN1
SCHEMBL6862518 0.68 TP53 (0.76) SMN1; SMN2MAPTPOLBLMNAMEN1

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