SCHEMBL29168795

SCHEMBL29168795

CCCCCc1nc(O)nc(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
CYP3A4 P08684 2/20 0.40
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
HSPD1 P10809 1/20 0.39
ADRB3 P13945 1/20 0.39
HTR2C P28335 1/20 0.39
HSPE1 P61604 1/20 0.39
HIF1A Q16665 1/20 0.39
TST Q16762 1/20 0.39

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
SCHEMBL8039222 0.95 PTGS2 (0.40) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL92739 0.82 KCNH2 (0.46) PTGS2CYP3A4ADORA3ALDH1A1TP53
SCHEMBL29053877 0.80 CASP1 (0.54) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL29523323 0.79 KCNH2 (0.50) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL31054446 0.79 KCNH2 (0.50) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL7711334 0.79 KCNH2 (0.50) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL7940988 0.77 GPR84 (0.51) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL169448 0.77 PTGS2 (0.38) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL10429464 0.76 GPR84 (0.53) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL27729819 0.75 TSHR (0.60) PTGS2CYP3A4ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111892548-B Process for preparing 2,4, 6-tris (2-hydroxy 4-n-hexyloxyaryl) -1,3, 5-triazines and intermediates thereof 利安隆(中卫)新材料有限公司 2023-12-01 CN claimed
CN-111892548-A Process for preparing 2,4, 6-tris (2-hydroxy-4-n-hexyloxyaryl) -1,3, 5-triazine and intermediates thereof 利安隆(中卫)新材料有限公司 2020-11-06 CN claimed
CN-111892548-B Process for preparing 2,4, 6-tris (2-hydroxy 4-n-hexyloxyaryl) -1,3, 5-triazines and intermediates thereof 利安隆(中卫)新材料有限公司 2023-12-01 CN disclosed
CN-111892548-B Process for preparing 2,4, 6-tris (2-hydroxy 4-n-hexyloxyaryl) -1,3, 5-triazines and intermediates thereof 利安隆(中卫)新材料有限公司 2023-12-01 CN disclosed
CN-111892548-A Process for preparing 2,4, 6-tris (2-hydroxy-4-n-hexyloxyaryl) -1,3, 5-triazine and intermediates thereof 利安隆(中卫)新材料有限公司 2020-11-06 CN disclosed