SCHEMBL9533386

SCHEMBL9533386

Cc1nc(N)nc(N)n1.OP(O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.48
HRH4 Q9H3N8 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
PIK3CD O00329 6/20 0.33
PIK3CA P42336 6/20 0.33
PIK3CB P42338 6/20 0.33
MTOR P42345 6/20 0.33
PIK3CG P48736 6/20 0.33
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL36733 0.87
SCHEMBL581600 0.84 LMNA (0.43) SMN1; SMN2LMNARAB9ANPC1CYP1A2
SCHEMBL664729 0.81
SCHEMBL21192797 0.81 LMNA (0.41) SMN1; SMN2LMNARAB9ANPC1CYP1A2
SCHEMBL28431497 0.81 LMNA (0.41) SMN1; SMN2LMNARAB9ANPC1CYP1A2
Alcohol SCHEMBL25309953 0.80 HSP90AA1 (0.52) HSP90AB1HRH4HSP90AA1ALDH1A1SMN1; SMN2
Urea SCHEMBL8677158 0.80 HSP90AB1 (0.46) HSP90AB1HRH4HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL11193332 0.80 HSP90AB1 (0.46) HSP90AB1HRH4HSP90AA1ALDH1A1SMN1; SMN2
Methoxymethane SCHEMBL3858154 0.79 HSP90AB1 (0.50) HSP90AB1HRH4HSP90AA1ALDH1A1SMN1; SMN2
Formaldehyde SCHEMBL1965611 0.79 HSP90AB1 (0.50) HSP90AB1HRH4HSP90AA1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286478-B1 PHOSPHOROUS-ACID SALTS, THEIR COMMPOSITIONS AND THEIR USE AS FIRE-PROOFING AGENTS ELF ATOCHEM S.A. (FR) 1993-03-10 EP claimed
US-4879327-A PLASTICS ATOCHEM (FR) 1989-11-07 US disclosed