SCHEMBL9762467

SCHEMBL9762467

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.34
MAT2A P31153 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9761629 0.78 MAPT (0.42) MAPTALDH1A1NPC1RAB9A
SCHEMBL9762626 0.75 MAPT (0.35) MAPTMAT2AALDH1A1
SCHEMBL9760872 0.68 SMN1; SMN2 (0.46) MAPTGAAALDH1A1
SCHEMBL9762405 0.68 MAPT (0.42) MAPTALDH1A1NPC1RAB9A
SCHEMBL9761612 0.67 NPSR1 (0.41) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL9760901 0.66 MAPT (0.33) MAPT
SCHEMBL11804530 0.64 S1PR4 (0.44) MAPTALDH1A1NPC1RAB9A
SCHEMBL10400448 0.64 ALDH1A1 (0.50) MAPTALDH1A1NPC1RAB9A
SCHEMBL10400610 0.62 ALDH1A1 (0.40) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL9761257 0.59 CCR6 (0.32) MAPT

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