SCHEMBL6895181

SCHEMBL6895181

CCCOc1ncc(I)cc1C(=O)Nc1c(CCC)nn(C)c1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
LMNA P02545 5/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
POLB P06746 1/20 0.34
NR3C1 P04150 3/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL1669 0.81 TERT (0.64) TERTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6778831 0.80 TERT (0.50) TERTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6356953 0.79 TERT (0.57) TERTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6778371 0.78 TERT (0.41) TERTNR3C1PDE5A
SCHEMBL6359187 0.78 CSF1R (0.36) TERTLMNAMAPTL3MBTL1NR3C1
SCHEMBL30357138 0.75 TERT (0.65) TERTRAB9ANPC1LMNAMAPT
SCHEMBL1792 0.75 TERT (0.65) TERTRAB9ANPC1LMNAMAPT
SCHEMBL12317587 0.75 PDE5A (0.36) TERTPDE5A
SCHEMBL1705329 0.75 TERT (0.61) TERTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4856945 0.75 TERT (0.54) TERTSMN1; SMN2RAB9ANPC1LMNA

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
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed