SCHEMBL7363076

SCHEMBL7363076

O=[N+]([O-])c1ccc(NCCF)nc1

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 7/20 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 8/20 0.56
MEN1 O00255 7/20 0.56
DPP4 P27487 2/20 0.54
ALOX12 P18054 1/20 0.54
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL1146057 0.87 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL30014816 0.87 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL6638580 0.86 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5099213 0.84 SMN1; SMN2 (0.57) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5100760 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL6162165 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL5650522 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL9143702 0.83 SMN1; SMN2 (0.63) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL3941650 0.83 SMN1; SMN2 (0.56) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL6087660 0.83 DPP4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed
EP-0741708-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP disclosed
WO-1995020579-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO disclosed