SCHEMBL9761776

SCHEMBL9761776

CCNc1c(N(C)C)nsc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PGK1 P00558 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
SCHEMBL9762607 0.78 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1PGK1
SCHEMBL9762197 0.66 PGK1 (0.38) MAPTSMN1; SMN2LMNAALDH1A1PGK1
SCHEMBL9761257 0.62 CCR6 (0.32) MAPT
SCHEMBL10400450 0.62 MAPT (0.40) MAPTSMN1; SMN2LMNAALDH1A1PGK1
SCHEMBL14805349 0.61 HTT (0.45) MAPTSMN1; SMN2LMNAALDH1A1PGK1
SCHEMBL9761831 0.61 CCR6 (0.33) MAPTSMN1; SMN2ALDH1A1
SCHEMBL9762626 0.59 MAPT (0.35) MAPTALDH1A1
SCHEMBL11852704 0.59 TDP1 (0.44) MAPTSMN1; SMN2LMNAALDH1A1PGK1
SCHEMBL9789043 0.58 PGK1 (0.40) MAPTSMN1; SMN2LMNAALDH1A1PGK1
SCHEMBL9761304 0.58 GAA (0.37) MAPTSMN1; SMN2ALDH1A1

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