SCHEMBL9761688

SCHEMBL9761688

CC(C)(C)Oc1nc(N)c([N+](=O)[O-])s1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9762184 0.78 ALDH1A1 (0.31) MAPTALDH1A1
SCHEMBL9762405 0.77 MAPT (0.42) MEN1MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9761231 0.70 ALDH1A1 (0.41) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL9762512 0.70 ALDH1A1 (0.41) MEN1MAPTKMT2AALDH1A1PKM
SCHEMBL9104518 0.67 MAPT (0.50) MEN1MAPTKMT2AALDH1A1PKM
SCHEMBL27936376 0.66 MAPT (0.34) MAPTHTT
SCHEMBL3613033 0.66 MAPT (0.35) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL10400611 0.64 ALDH1A1 (0.49) MEN1MAPTKMT2AALDH1A1PKM
SCHEMBL28510882 0.63 ALDH1A1 (0.41) MEN1MAPTKMT2AALDH1A1PKM
SCHEMBL9788027 0.60 F2RL3 (0.34) MAPTMAPK1HTTNPSR1

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