SCHEMBL28510684

SCHEMBL28510684

O=C(Nc1ccc(Br)cc1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65
TUBA1B P68363 1/20 0.65
TUBA4A P68366 1/20 0.65
TUBB4B P68371 1/20 0.65
TUBB3 Q13509 1/20 0.65
TUBB2A Q13885 1/20 0.65
TUBB8 Q3ZCM7 1/20 0.65
TUBA3E Q6PEY2 1/20 0.65
TUBA1A Q71U36 1/20 0.65
TUBA1C Q9BQE3 1/20 0.65
TUBB6 Q9BUF5 1/20 0.65
TUBB2B Q9BVA1 1/20 0.65
TUBB1 Q9H4B7 1/20 0.65
ADORA1 P30542 2/20 0.60
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
CHRM1 P11229 1/20 0.54

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
SCHEMBL29649082 0.92 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28511887 0.88 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28516015 0.88 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3166384 0.86 TUBB4A (0.85) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28510661 0.85 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3851419 0.85 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28520391 0.84 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28222415 0.81 LMNA (0.68) ADORA1CHRM1L3MBTL1MAPK1LMNA
SCHEMBL3854264 0.81 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28521232 0.81 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN claimed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN claimed
CN-112294798-A Composition for reducing absorption of lipase inhibitor in digestive tract 中山万汉制药有限公司 2021-02-02 CN disclosed
CN-112263575-A Composition containing orlistat and indoxyl acetamide compound and application thereof 中山万汉制药有限公司 2021-01-26 CN disclosed