SCHEMBL4847544

SCHEMBL4847544

CCCOc1cccc(S(=O)(=O)Cl)c1C(=O)Nc1c(CCC)nn(C)c1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.52
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NR3C1 P04150 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL4856945 0.86 TERT (0.54) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1669 0.81 TERT (0.64) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1705329 0.81 TERT (0.61) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL8055439 0.76 TERT (0.54) TERTRAB9ASMN1; SMN2MAPTHTT
SCHEMBL8055429 0.75 TERT (0.56) TERTRAB9ANPC1LMNANR1I2
SCHEMBL1792 0.75 TERT (0.65) TERTRAB9ANPC1LMNAL3MBTL1
SCHEMBL30357138 0.75 TERT (0.65) TERTRAB9ANPC1LMNAL3MBTL1
SCHEMBL8125815 0.74 TERT (0.62) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL6284529 0.73 TERT (0.53) TERTRAB9ANPC1LMNAHTT
SCHEMBL8056309 0.72 TERT (0.50) TERTRAB9ALMNAMAPTHTT

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-2008100886-A1 PREPARATION AND USE OF DEUTERATED UDENAFIL ANALOGUES AS HIGHLY SELECTIVE PDE5 MODULATORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed