SCHEMBL7602756

SCHEMBL7602756

O=C(/C=C\C(=O)ONC(=O)OCCc1ccccn1)ONC(=O)OCCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
RECQL P46063 1/20 0.47
NAAA Q02083 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL27572428 0.81 NPC1 (0.54) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL8282497 0.79 NPC1 (0.57) NPC1RAB9AMEN1KMT2ACA12
Carbamic Acid SCHEMBL7602744 0.78 HCAR2 (0.58) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL7601766 0.77 LMNA (0.51) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL1281463 0.76 CA12 (0.59) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL30159033 0.76 CA12 (0.52) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL11560271 0.76 CA12 (0.52) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL28124577 0.76 THRB (0.58) NPC1RAB9AMEN1KMT2ACA12
Hydrochloric Acid SCHEMBL7603533 0.75 CA12 (0.58) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL27583343 0.75 NPC1 (0.54) NPC1RAB9AMEN1KMT2ACA12

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
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP claimed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP claimed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US claimed