SCHEMBL27979486

SCHEMBL27979486

CC1(C(N)=O)CN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 12/20 0.51
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.43
GRM6 O15303 1/20 0.42

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
SCHEMBL27979482 0.84 AMPD2 (0.51) AMPD2GAAALDH1A1CYP2D6TSHR
SCHEMBL27979606 0.83 GAA (0.45) AMPD2GAAALDH1A1CYP2D6TSHR
SCHEMBL14234878 0.83 CYP2D6 (0.50) AMPD2ALDH1A1CYP2D6TSHRMEN1
SCHEMBL27979776 0.80 AMPD2 (0.43) AMPD2GAACYP2D6TSHRMEN1
SCHEMBL28249739 0.77 ALDH1A1 (0.58) ALDH1A1CYP2D6TSHRMEN1KMT2A
SCHEMBL17700194 0.75 GAA (0.53) AMPD2GAATSHRMEN1KMT2A
SCHEMBL5138623 0.74 AMPD2 (0.41) AMPD2GAAALDH1A1CYP2D6TSHR
SCHEMBL4994044 0.74 GAA (0.53) AMPD2GAAALDH1A1CYP2D6TSHR
SCHEMBL30787991 0.73 CYP2D6 (0.47) ALDH1A1CYP2D6TSHRMEN1KMT2A
SCHEMBL11295999 0.73 CYP2D6 (0.44) ALDH1A1CYP2D6TSHRMEN1KMT2A

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
CN-104428331-B Active energy beam polymer resin composition and the laminated body for using the resin combination 东洋油墨SC控股株式会社 2019-02-15 CN disclosed
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed