SCHEMBL9761629

SCHEMBL9761629

CCOc1nc([N+](=O)[O-])c(N)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
LMNA P02545 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33
RECQL P46063 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRKCZ Q05513 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL9762467 0.78 MAPT (0.35) MAPTALDH1A1NPC1RAB9A
SCHEMBL9762405 0.77 MAPT (0.42) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL28786583 0.72 MAPT (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL9760872 0.70 SMN1; SMN2 (0.46) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL9761612 0.69 NPSR1 (0.41) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL9762626 0.68 MAPT (0.35) MAPTALDH1A1
SCHEMBL11804530 0.66 S1PR4 (0.44) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL10400448 0.66 ALDH1A1 (0.50) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL10400610 0.64 ALDH1A1 (0.40) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL31569228 0.64 MAPT (0.40) MAPTLMNAALDH1A1NPC1RAB9A

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
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed