SCHEMBL28016258

SCHEMBL28016258

CCCCNC(=O)c1ccccc1I

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
HTT P42858 1/20 0.77
HPGD P15428 3/20 0.67
NAAA Q02083 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
HCRTR1 O43613 1/20 0.53
ALOX15 P16050 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 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
SCHEMBL11332405 0.94 NAAA (0.70) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL11330575 0.94 NAAA (0.70) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL19210845 0.88 TSHR (1.00) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL28692142 0.86 TSHR (0.66) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL26598043 0.83 HPGD (0.71) TSHRHTTHPGDL3MBTL1SMN1; SMN2
SCHEMBL18946096 0.83 TSHR (0.53) TSHRHTTHPGDNAAASMN1; SMN2
SCHEMBL4352870 0.82 KMT2A (0.55) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL164069 0.81 TSHR (0.80) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL486382 0.81 TSHR (0.80) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL6273378 0.81 HTT (0.86) TSHRHTTHPGDNAAAL3MBTL1

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-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 CN disclosed
CN-114890856-B Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2023-08-22 CN disclosed
CN-116535344-A Preparation method of phthalimide compound 华南理工大学 2023-08-04 CN disclosed
CN-114890856-A Method for synthesizing 2,2' -biphenyl-1-carboxylic acid derivative 华南理工大学 2022-08-12 CN disclosed
CN-111471023-A Method for synthesizing quinazolinone compound under photocatalysis condition 河南大学 2020-07-31 CN disclosed
CN-103224498-B Two kinds of azoles the novel synthesis of quinazolinone fused heterocycle CHEN DINGBEN (CN) 2015-10-28 CN disclosed