SCHEMBL8950815

SCHEMBL8950815

O=P(O)(O)c1nc(N2CCCC2)nc(N2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.41

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
SCHEMBL11208162 0.74 SMN1; SMN2 (0.71) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL9803306 0.71 HRH1 (0.62) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL9073359 0.66 HRH1 (0.56) HRH1SMN1; SMN2USP2TDP1MAPK1
Triethylenemelamine SCHEMBL8359 0.65 HRH1 (0.52) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL821899 0.64 MEN1 (0.59) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL8422457 0.64 SMN1; SMN2 (0.58) HRH1SMN1; SMN2USP2TDP1MAPK1
Hydrochloric Acid SCHEMBL31046022 0.64 HRH1 (0.54) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL2805776 0.64 CASP1 (0.50) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL778188 0.62 SMN1; SMN2 (1.00) HRH1SMN1; SMN2USP2TDP1MAPK1
SCHEMBL6712680 0.61 HRH1 (0.50) HRH1SMN1; SMN2USP2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534573-A FLAME RETARDANTS COURTAULDS PLC (GB) 1996-07-09 US disclosed
EP-0617717-A1 PHOSPHORUS-CONTAINING TRIAZINE COMPOUNDS AND THEIR USE COURTAULDS PLC (GB) 1994-10-05 EP disclosed
WO-1993012173-A2 PHOSPHORUS-CONTAINING TRIAZINE COMPOUNDS AND THEIR USE COURTAULDS PLC (GB) 1993-06-24 WO disclosed