SCHEMBL13463752

SCHEMBL13463752

CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(N)c2c1[nH]c1ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.40
TERT O14746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDO2 P48775 1/20 0.39
SLC6A4 P31645 1/20 0.39
JAK2 O60674 4/20 0.38
JAK3 P52333 1/20 0.38
MAOA P21397 1/20 0.37
XDH P47989 1/20 0.37
PADI4 Q9UM07 1/20 0.37
NUAK1 O60285 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
SCHEMBL12968285 0.88 MPO (0.40) MPOTERTKDM4EMEN1GALR3
SCHEMBL3459655 0.88 MPO (0.40) MPOTERTKDM4EMEN1GALR3
SCHEMBL13463392 0.88 MPO (0.40) MPOTERTKDM4EMEN1GALR3
SCHEMBL12968360 0.86 MPO (0.39) MPOTERTKDM4EMEN1GALR3
SCHEMBL23875602 0.85 MPO (0.40) MPOTERTKDM4EMEN1GALR3
SCHEMBL23875517 0.85 TERT (0.37) MPOTERTKDM4EMEN1GALR3
SCHEMBL3462078 0.85 CLK1 (0.39) MPOTERTKDM4EMEN1GALR3
SCHEMBL1921075 0.85 MPO (0.44) MPOTERTKDM4EMEN1GALR3
SCHEMBL23875676 0.84 MPO (0.41) MPOTERTKDM4EMEN1GALR3
SCHEMBL3460849 0.82 JAK2 (0.43) MPOKDM4EMEN1GALR3LMNA

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-2010033198-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI INTERNATIONAL (US) 2010-03-25 WO disclosed