SCHEMBL28601470

SCHEMBL28601470

COc1cc(-c2ccc(N)cc2)c(OC)c(OC)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.47
MGAM O43451 7/20 0.45
GAA P10253 7/20 0.45
SI P14410 7/20 0.45
MGAM2 Q2M2H8 7/20 0.45
CYP19A1 P11511 2/20 0.45
NQO2 P16083 1/20 0.45
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43

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
SCHEMBL31607640 0.80 CHEK1 (0.49) FYNCYP19A1NQO2TUBB4ATUBB
SCHEMBL27957843 0.77 FYN (0.46) FYNCYP19A1NQO2TUBB4ATUBB
SCHEMBL31607696 0.76 CHEK1 (0.49) FYNCYP19A1NQO2TUBB4ATUBB
SCHEMBL29414062 0.75 ALDH1A1 (0.54) FYNGAACYP19A1NQO2ALDH1A1
SCHEMBL29046162 0.73 CHEK1 (0.46) FYNGAACYP19A1NQO2TUBB4A
SCHEMBL3784958 0.73 NTRK1 (0.49) FYNGAACYP19A1ALDH1A1CYP3A4
SCHEMBL28681409 0.73 FYN (0.64) FYNCYP19A1NQO2ALDH1A1CYP3A4
SCHEMBL3791216 0.73 MAPT (0.52) FYNGAACYP19A1NQO2ALDH1A1
SCHEMBL28222892 0.73 CYP19A1 (0.53) FYNMGAMGAASIMGAM2
SCHEMBL7679792 0.72 TDP1 (0.47) FYNMGAMGAASIMGAM2

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-115893387-B Alkoxy benzidine modified graphene material and preparation method thereof 浙江理工大学嵊州创新研究院有限公司 2024-07-05 CN disclosed
CN-115893387-A Alkoxy benzidine modified graphene material and preparation method thereof 浙江理工大学嵊州创新研究院有限公司 2023-04-04 CN disclosed
CN-112961170-B Sponge source actinomycetes and preparation method and application of sulfur-containing alkaloid produced by sponge source actinomycetes 中国科学院南海海洋研究所 2022-03-11 CN disclosed
CN-112961170-A Sponge source actinomycetes and preparation method and application of novel sulfur-containing alkaloid produced by sponge source actinomycetes 中国科学院南海海洋研究所 2021-06-15 CN disclosed