SCHEMBL8948751

SCHEMBL8948751

CCOC(=O)C1Oc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CACNA1C Q13936 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30398320 0.75 MAPT (0.50) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL9273976 0.75 MAPT (0.42) MAPTALDH1A1KMT2ATDP1CACNA1C
SCHEMBL9568083 0.75 MAPT (0.50) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL2197257 0.73 ALDH1A1 (0.68) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL6974946 0.72 MAPT (0.40) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL9202289 0.71 CACNA1C (0.42) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL21222945 0.69 ALDH1A1 (0.46) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL17713231 0.67 ALDH1A1 (0.61) MAPTALDH1A1KMT2ATDP1CACNA1C
SCHEMBL2598880 0.66 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL29923020 0.66 CACNA1C (0.46) MAPTALDH1A1KMT2ATDP1CACNA1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed