SCHEMBL3241982

SCHEMBL3241982

C=CCNc1nc(N)nc(N(N)N)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
GBA1 P04062 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HCRTR1 O43613 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 3/20 0.33
CRHR1 P34998 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Phosphoric Acid SCHEMBL3254125 0.91 POLB (0.37) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL2268712 0.87 POLB (0.46) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL28037921 0.85 GAA (0.36) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL347516 0.83 CRHR1 (0.39) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL276285 0.83 GAA (0.46) POLBGBA1KMT2AMEN1ALDH1A1
Formaldehyde SCHEMBL5690331 0.80 GAA (0.43) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL8064487 0.79 GAA (0.44) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL8057732 0.79 HCRTR1 (0.36) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL3237315 0.77 GAA (0.53) POLBGBA1KMT2AMEN1ALDH1A1
SCHEMBL11215470 0.75 GBA1 (0.41) POLBGBA1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101945937-A Halogen-free flame retardant thermoplastic compositions SABIC INNOVATIVE PLASTICS IP 2011-01-12 CN disclosed
EP-2222777-A1 HALOGEN-FREE FLAME RETARDANT THERMOPLASTIC COMPOSITIONS SABIC Innovative Plastics IP B.V. (NL) 2010-09-01 EP disclosed
US-20100087573-A1 HALOGEN-FREE FLAME RETARDANT THERMOPLASTIC COMPOSITIONS SABIC INNOVATIVE PLASTICS IP B.V. (US) 2010-04-08 US disclosed
WO-2009081381-A1 HALOGEN-FREE FLAME RETARDANT THERMOPLASTIC COMPOSITIONS SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-07-02 WO disclosed