SCHEMBL9202289

SCHEMBL9202289

CCOC(=O)C1C(=O)Nc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.42
TDP2 O95551 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1D Q01668 4/20 0.38
CACNA1F O60840 3/20 0.38
CACNA1S Q13698 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9203849 0.85 TDP2 (0.43) CACNA1CTDP2MAPTKMT2AALDH1A1
SCHEMBL9568083 0.81 MAPT (0.50) CACNA1CMAPTKMT2AALDH1A1MEN1
SCHEMBL30398320 0.81 MAPT (0.50) CACNA1CMAPTKMT2AALDH1A1MEN1
SCHEMBL9203839 0.79 TDP2 (0.43) CACNA1CTDP2MAPTKMT2AALDH1A1
SCHEMBL13405570 0.76 CACNA1C (0.41) CACNA1CMAPTKMT2ACACNA1DCACNA1F
SCHEMBL28087596 0.75 ALDH1A1 (0.56) TDP2MAPTKMT2AALDH1A1KDM4E
SCHEMBL9202279 0.74 GSK3B (0.48) CACNA1CTDP2MAPTKMT2ACACNA1D
SCHEMBL9204538 0.74 TDP2 (0.46) CACNA1CTDP2MAPTKMT2ACACNA1D
SCHEMBL8948751 0.71 MAPT (0.43) CACNA1CMAPTKMT2AALDH1A1KDM4E
SCHEMBL6974946 0.71 MAPT (0.40) CACNA1CMAPTKMT2ACACNA1DCACNA1F

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
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP claimed