SCHEMBL6162165

SCHEMBL6162165

[NH]CCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 6/20 0.57
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
DPP4 P27487 2/20 0.54
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.53
ALOX12 P18054 1/20 0.50

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
SCHEMBL30014816 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL1146057 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL7363076 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5100760 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5650522 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL6638580 0.83 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL13649701 0.83 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL6657510 0.81 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL8365566 0.81 DPP4 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5099213 0.81 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTRAB9ANPC1

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-0939632-B1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS LILLY CO ELI (US) 2005-10-05 EP disclosed