SCHEMBL5279347

SCHEMBL5279347

CCCn1nnc([N+](=O)[O-])c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 3/20 0.34
SLC9A1 P19634 1/20 0.34
BLM P54132 1/20 0.34
TOP2A P11388 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
JAK2 O60674 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIA4 P48058 1/20 0.31
HCAR3 P49019 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL5276739 0.90 SLC9A1 (0.37) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5281712 0.87 SLC9A1 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL5279772 0.86 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5285281 0.81 ALDH1A1 (0.36) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5276496 0.81 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5279213 0.79 KDM4E (0.42) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5279006 0.79 GRM2 (0.37) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5280639 0.79 MAPT (0.37) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5284361 0.79 ALDH1A1 (0.33) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL5277962 0.78 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AMEN1HPGDALDH1A1

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed