SCHEMBL6861702

SCHEMBL6861702

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
POLB P06746 1/20 0.39
TDO2 P48775 1/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIA2 P42262 1/20 0.37

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 0.91 KDM4E (0.44) MAPTMRGPRX4POLBMEN1KMT2A
SCHEMBL6861147 0.89 ABHD6 (0.48) MAPTMRGPRX4POLBTP53MEN1
SCHEMBL6861498 0.87 GRIA2 (0.44) MAPTPOLBTP53LMNACYP1A2
SCHEMBL6860844 0.79 CYP2C19 (0.43) MAPTPOLBTP53MEN1KMT2A
SCHEMBL6860475 0.78 LMNA (0.44) MAPTPOLBTP53MEN1KMT2A
SCHEMBL6861342 0.77 GRIA2 (0.54) MAPTPOLBTP53LMNACYP1A2
SCHEMBL1009106 0.75 GRIA2 (0.54) MAPTPOLBTP53MEN1KMT2A
SCHEMBL6862770 0.75 SMN1; SMN2 (0.39) MAPTPOLBTP53MEN1KMT2A
SCHEMBL1007201 0.73 POLB (0.56) MAPTPOLBTP53MEN1KMT2A
SCHEMBL1006093 0.72 MAPT (0.57) MAPTPOLBTP53LMNACYP1A2

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