SCHEMBL28964166

SCHEMBL28964166

COc1ccc2cc(CNc3ccc(C)cc3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
GAA P10253 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51

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
SCHEMBL30301281 1.00 MAPT (0.59) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL9702101 0.86 MAPT (0.57) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL169696 0.85 MAPT (0.72) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL8345852 0.85 MAPT (0.72) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL13636688 0.83 MAPT (0.65) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL28392967 0.82 HTT (0.62) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL10267340 0.81 MAPT (0.68) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL9702551 0.79 MAPT (0.50) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL1844199 0.77 MAPT (0.82) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL10055019 0.77 MAPT (0.82) MAPTGAAKDM4EALDH1A1TDP1

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-115745808-B Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2024-04-30 CN disclosed
CN-115745808-A Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2023-03-07 CN disclosed