SCHEMBL28577804

SCHEMBL28577804

O=C(O)c1ccccc1NC(=O)c1cn(Cc2ccncc2)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.72
CNR1 P21554 3/20 0.59
CNR2 P34972 3/20 0.59
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL28577420 0.92 SLC22A12 (0.72) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28584067 0.88 CNR2 (0.59) SLC22A12CNR1CNR2TUBB4ATUBB
SCHEMBL28579237 0.88 SLC22A12 (0.68) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28589801 0.88 SLC22A12 (0.67) SLC22A12CNR1CNR2TUBB4ATUBB
SCHEMBL28584701 0.87 SLC22A12 (0.66) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28589812 0.87 SLC22A12 (0.66) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28914924 0.87 SLC22A12 (0.66) SLC22A12CNR2LMNANPSR1CYP1A2
SCHEMBL28595188 0.85 SLC22A12 (0.80) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28575852 0.84 SLC22A12 (0.62) SLC22A12CNR1CNR2LMNAL3MBTL1
SCHEMBL28589808 0.83 SLC22A12 (1.00) SLC22A12CNR1CNR2LMNAL3MBTL1

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-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 CN disclosed