SCHEMBL7362836

SCHEMBL7362836

NCC=CCNc1ncccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.49
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7362833 1.00 MAPT (0.58) MAPTNPC1RAB9APKMLMNA
SCHEMBL8600198 0.81 MAPT (0.58) MAPTNPC1RAB9APKMLMNA
SCHEMBL7369725 0.80 MAPT (0.68) MAPTNPC1RAB9APKMLMNA
SCHEMBL13964086 0.79 NPC1 (0.62) MAPTNPC1RAB9APKMLMNA
SCHEMBL8288918 0.77 LMNA (0.64) MAPTNPC1RAB9APKMLMNA
SCHEMBL22520154 0.77 KAT2B (0.59) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL29209601 0.77 KAT2B (0.59) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL28640211 0.76 LMNA (0.51) MAPTNPC1RAB9APKMLMNA
SCHEMBL4034758 0.76 NPC1 (0.62) MAPTNPC1RAB9APKMLMNA
SCHEMBL7361532 0.76 BACE1 (0.38) MAPTNPC1RAB9ALMNASMN1; 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-0578745-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1994-01-19 EP disclosed
WO-1992017490-A1 PHOSPHORUS CONTAINING COMPOUNDS AS INHIBITORS OF RETROVIRUSES THE UPJOHN COMPANY (US) 1992-10-15 WO disclosed