SCHEMBL9762582

SCHEMBL9762582

CCNc1nc(N)sc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 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
SCHEMBL19435550 0.81 LMNA (0.41) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9762197 0.78 PGK1 (0.38) PGK1MAPTALDH1A1SMN1; SMN2MAPK8
SCHEMBL10887538 0.74 MAPT (0.38) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL958749 0.71 NOS1 (0.46) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9762260 0.70 ALDH1A1 (0.41) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9762512 0.70 ALDH1A1 (0.41) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL9761232 0.69 KMT2A (0.50) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL11326258 0.69 ALDH1A1 (0.37) MAPTGAAL3MBTL1ALDH1A1TDP1
SCHEMBL10781893 0.69 ALDH1A1 (0.43) MAPTGAAALDH1A1TDP1SMN1; SMN2
SCHEMBL11212059 0.68 MAPT (0.37) MAPTGAAALDH1A1TDP1SMN1; SMN2

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