SCHEMBL9762702

SCHEMBL9762702

NCCCCc1nc(N)[nH]c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 3/20 0.31
HRH4 Q9H3N8 2/20 0.31
GART P22102 1/20 0.31
HRH1 P35367 7/20 0.30
HRH2 P25021 2/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 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
SCHEMBL9762396 0.79 MAPT (0.33) MAPT
SCHEMBL9761376 0.73 MAPT (0.35) MAPTALDH1A1TDP1
SCHEMBL9761640 0.73 HRH1 (0.33) HRH3HRH4HRH1HRH2
SCHEMBL9761557 0.73 RIPK1 (0.46) MAPTALDH1A1TDP1
SCHEMBL9761856 0.73 KMT2A (0.40) MAPTALDH1A1
SCHEMBL4269080 0.71 MAPT (0.49) MAPTALDH1A1TDP1HRH3HRH4
SCHEMBL10400103 0.71 HRH3 (0.41) MAPTTDP1HRH3HRH4HRH1
SCHEMBL7805224 0.70 MAPT (0.39) MAPTALDH1A1
SCHEMBL7801102 0.69 MAPT (0.39) MAPTALDH1A1
Hydrochloric Acid SCHEMBL4618823 0.69 MAPT (0.47) MAPTALDH1A1TDP1HRH3HRH4

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