SCHEMBL27920185

SCHEMBL27920185

CC(C)N1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 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
SCHEMBL27597887 0.83 ALDH1A1 (0.38) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL16284295 0.80 HTR2A (0.44) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL12919995 0.77 ALDH1A1 (0.54) ALDH1A1TDP1LMNAHPGDCYP2C9
SCHEMBL8132810 0.77 ACHE (0.42) ALDH1A1TDP1ACHELMNACYP1A2
SCHEMBL28208186 0.76 ALDH1A1 (0.46) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL9800936 0.76 LMNA (0.47) ALDH1A1TDP1ACHELMNAHPGD
SCHEMBL27982520 0.76 LMNA (0.43) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL6651163 0.76 LMNA (0.43) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL24351653 0.76 HPGD (0.44) ALDH1A1TDP1HTR2AHTR2CHTR2B
SCHEMBL6691919 0.75 NOTUM (0.60) ALDH1A1TDP1LMNAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103059598-B Azo blue-ray optical storage dye and preparation method thereof SHANGHAI TOYOU DIGITAL TECH CO LTD 2014-04-02 CN claimed
CN-103059598-A Azo blue-ray optical storage dye and preparation method thereof SHANGHAI TOYOU DIGITAL TECH CO LTD 2013-04-24 CN claimed
CN-103059598-B Azo blue-ray optical storage dye and preparation method thereof SHANGHAI TOYOU DIGITAL TECH CO LTD 2014-04-02 CN disclosed
CN-103059598-A Azo blue-ray optical storage dye and preparation method thereof SHANGHAI TOYOU DIGITAL TECH CO LTD 2013-04-24 CN disclosed