SCHEMBL6862396

SCHEMBL6862396

COC(=O)c1ccc(Cn2nc(C(F)(F)F)c3c2NCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.45
TP53 P04637 3/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6860667 0.87 LMNA (0.44) POLBTP53GAARAB9AMAPT
SCHEMBL6860631 0.84 OPRD1 (0.43) POLBMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6860642 0.84 SMN1; SMN2 (0.49) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL1007201 0.73 POLB (0.56) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL16832447 0.73 GAA (0.54) POLBGAARAB9ASMN1; SMN2FAAH
SCHEMBL26923626 0.71 CHKA (0.42) POLBTP53GAARAB9ASMN1; SMN2
SCHEMBL1009404 0.71 SMN1; SMN2 (0.55) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL13773366 0.71 MAPT (0.69) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL1897157 0.71 MAPT (0.75) POLBTP53GAAMAPTSMN1; SMN2
SCHEMBL1006480 0.71 POLB (0.53) POLBTP53GAAMAPTSMN1; SMN2

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