SCHEMBL29643255

SCHEMBL29643255

Cc1ccc(NC(=O)CCl)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HTT P42858 1/20 1.00
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
TP53 P04637 3/20 0.60
HPGD P15428 3/20 0.60
LMNA P02545 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL4228749 1.00 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL9312746 0.87 KMT2A (1.00) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL4001716 0.86 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL13437936 0.85 KMT2A (0.82) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL29528302 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL10603640 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL7264600 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL6572962 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL879229 0.84 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL2902945 0.84 KMT2A (0.79) SMN1; SMN2ALDH1A1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112557569-B Method for detecting related substances in lidocaine 南京海纳医药科技股份有限公司 2023-04-11 CN claimed
CN-114524749-A N-diethyl acetyl-2, 6-dimethylaniline crystal and preparation method thereof 遂成药业股份有限公司 2022-05-24 CN claimed
CN-118496218-A Carbazole-oxadiazole alpha-glucosidase and alpha-amylase double-target inhibitor and preparation method and application thereof 贵州医科大学 2024-08-16 CN disclosed
CN-116947772-A 1,2, 4-triazole-phenylacetamide alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2023-10-27 CN disclosed
CN-112557569-B Method for detecting related substances in lidocaine 南京海纳医药科技股份有限公司 2023-04-11 CN disclosed
CN-114524749-A N-diethyl acetyl-2, 6-dimethylaniline crystal and preparation method thereof 遂成药业股份有限公司 2022-05-24 CN disclosed