SCHEMBL11208162

SCHEMBL11208162

C1CCN(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
USP2 O75604 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
HRH1 P35367 1/20 0.67
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
HTT P42858 1/20 0.65
RECQL P46063 1/20 0.65
ATM Q13315 1/20 0.65
MAPK1 P28482 4/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 1/20 0.61
GALR3 O60755 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
CYP2C19 P33261 3/20 0.58
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 2/20 0.54

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
SCHEMBL9730702 0.97 SMN1; SMN2 (0.68) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL1975340 0.97 HRH1 (0.70) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL9803306 0.90 HRH1 (0.62) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL10494023 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL28998684 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL29274355 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL8422457 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL1090112 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL28625836 0.87 SMN1; SMN2 (0.58) SMN1; SMN2USP2TDP1HRH1MEN1
SCHEMBL821899 0.87 MEN1 (0.59) SMN1; SMN2USP2TDP1HRH1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9702001-B2 Scaffold-based polymerase enzyme substrates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-11 US disclosed
US-4317911-A LIGHT STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1982-03-02 US disclosed