SCHEMBL9761839

SCHEMBL9761839

CC(C)Oc1c([N+](=O)[O-])n[nH]c1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
LRRK2 Q5S007 3/20 0.34
PKM P14618 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL9761404 0.73 KMT2A (0.56) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9761085 0.67 MAPT (0.40) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9762508 0.67 ALDH1A1 (0.43) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL27481521 0.66 MAPT (0.45) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL27553910 0.66 MAPT (0.48) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9761405 0.65 MAPT (0.46) ALDH1A1MAPTCYP1A2CYP2C9L3MBTL1
SCHEMBL9761859 0.65 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9761852 0.64 L3MBTL1 (0.41) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL17429746 0.63 KMT2A (0.54) KMT2AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9762557 0.63 MAPT (0.37) KMT2AALDH1A1MAPTCYP1A2CYP2C9

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