SCHEMBL9761404

SCHEMBL9761404

CC(C)Oc1nc([N+](=O)[O-])[nH]c1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL9761839 0.73 KMT2A (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL17429746 0.72 KMT2A (0.54) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11822515 0.69 KMT2A (0.69) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL11828793 0.69 KMT2A (0.60) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9761852 0.68 L3MBTL1 (0.41) KMT2AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9762552 0.66 CYP1A2 (0.44) KMT2AMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL27481519 0.63 HTT (0.48) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL21964578 0.63 KMT2A (0.44) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL20242265 0.62 ALDH1A1 (0.57) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9761124 0.62 KMT2A (0.52) KMT2AMAPTSMN1; SMN2ALDH1A1KDM4E

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