SCHEMBL4856945

SCHEMBL4856945

CCCOc1c(C(=O)Nc2c(CCC)nn(C)c2C(N)=O)cccc1S(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.54
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 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
MRGPRX1 Q96LB2 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
SCHEMBL4847544 0.86 TERT (0.52) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1669 0.81 TERT (0.64) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1705329 0.81 TERT (0.61) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL1792 0.77 TERT (0.65) TERTRAB9ANPC1LMNAL3MBTL1
SCHEMBL30357138 0.77 TERT (0.65) TERTRAB9ANPC1LMNAL3MBTL1
SCHEMBL8125815 0.76 TERT (0.62) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL8055439 0.76 TERT (0.54) TERTRAB9ASMN1; SMN2MAPTHTT
SCHEMBL8055429 0.75 TERT (0.56) TERTRAB9ANPC1LMNANR1I2
SCHEMBL6895181 0.75 TERT (0.60) TERTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL3670031 0.73 TERT (0.63) TERTRAB9ANPC1LMNASMN1; 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-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