SCHEMBL29971453

SCHEMBL29971453

CNC(=O)c1ccccc1-c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CDK4 P11802 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.49
▸ PLK1 P53350 2/20 0.47
▸ ALOX5AP P20292 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ CHRNB2 P17787 2/20 0.46
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ CHRNA4 P43681 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13845065 0.87 HDAC7 (0.65) L3MBTL1CDK4CCND1HDAC7CHRNB2
SCHEMBL1827710 0.86 L3MBTL1 (0.61) L3MBTL1CDK4CCND1HDAC7CHRNB2
SCHEMBL12900891 0.83 L3MBTL1 (0.84) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3223294 0.83 CHRNB2 (0.65) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL268963 0.81 L3MBTL1 (0.59) L3MBTL1GAAPOLBCNR2ALDH1A1
SCHEMBL30361685 0.81 L3MBTL1 (0.59) L3MBTL1GAAPOLBCNR2ALDH1A1
SCHEMBL30285097 0.81 SLC6A3 (0.63) L3MBTL1CDK4CCND1GAAMAPT
SCHEMBL10954387 0.81 CNR2 (0.64) L3MBTL1POLBMAPTCNR2ALDH1A1
SCHEMBL6667275 0.80 BCAT2 (0.65) L3MBTL1CDK4CCND1MAPTNPC1
SCHEMBL735163 0.79 L3MBTL1 (0.52) L3MBTL1CDK4CCND1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666802-A Method for preparing biaryl derivative by iron-catalyzed difunctional 北京师范大学 2024-09-20 — — CN disclosed
CN-114835599-B Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2024-05-03 — — CN disclosed
CN-114835599-A Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2022-08-02 — — CN disclosed
Send feedback