SCHEMBL7488147

SCHEMBL7488147

O=S(=O)(O)N1CCN(c2ncnc(CO)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SORD Q00796 13/20 0.45
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 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
SCHEMBL6348271 0.83 SORD (0.64) SORDLMNAKDM4ESMN1; SMN2
SCHEMBL6415372 0.80 SORD (0.46) SORDLMNAKDM4ENPC1RAB9A
SCHEMBL6406954 0.66 LMNA (0.33) SORDLMNAKDM4ENPC1RAB9A
SCHEMBL6293147 0.62 SORD (0.70) SORD
SCHEMBL1746338 0.62
SCHEMBL14641243 0.59 MAPK1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL28618636 0.59 LMNA (0.71) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9052997 0.58 MAPT (0.44) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28710773 0.55 HRH1 (0.61) KDM4ESMN1; SMN2
SCHEMBL2721148 0.55 ALDH1A1 (0.49) LMNAKDM4E

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
EP-1247809-A2 Triazine compounds useful as sorbitol dehydrogenase inhibitors Pfizer Products Inc. (US) 2002-10-09 EP disclosed