SCHEMBL29637663

SCHEMBL29637663

N#Cc1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 2/20 0.59
ADH5 P11766 1/20 0.58
XDH P47989 6/20 0.57
IDO1 P14902 2/20 0.54
MYC P01106 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
RPA1 P27694 1/20 0.47
ATM Q13315 1/20 0.47
HPGDS O60760 1/20 0.46

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
SCHEMBL4701290 0.92 GP6 (0.60) GP6ADH5XDHIDO1MYC
SCHEMBL9985391 0.82 ADH5 (0.67) ADH5XDHMYCALDH1A1RPA1
SCHEMBL8264193 0.76 XDH (0.66) GP6ADH5XDHIDO1ALDH1A1
SCHEMBL12818241 0.76 GP6 (0.65) GP6ADH5XDHIDO1ALDH1A1
SCHEMBL27787243 0.76 CLK4 (0.63) XDHIDO1CLK4
SCHEMBL24255716 0.76 CLK4 (0.57) XDHALDH1A1CLK4
SCHEMBL25378122 0.75 GP6 (1.00) GP6ADH5XDHIDO1ALDH1A1
SCHEMBL21189130 0.74 CLK4 (0.57) XDHIDO1CLK4
Hydrochloric Acid SCHEMBL28007259 0.74 CLK4 (0.61) XDHIDO1CLK4
SCHEMBL9984638 0.74 ADH5 (0.95) GP6ADH5XDHALDH1A1RPA1

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-114481638-B Electrically-heatable waterborne polyurethane clothing leather and preparation method thereof 合肥科天水性科技有限责任公司 2024-02-02 CN disclosed
CN-114481638-A Electrically-heatable waterborne polyurethane clothing leather and preparation method thereof 合肥科天水性科技有限责任公司 2022-05-13 CN disclosed