SCHEMBL28549256

SCHEMBL28549256

CC(=O)Cc1ccccc1SCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP12 P39900 3/20 0.37
IAPP P10997 1/20 0.37
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1B1 P15121 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL711355 0.82 CYP2C9 (0.56) CYP2C9HPGDCYP2C19MMP2MMP9
SCHEMBL3136680 0.82 LMNA (0.48) L3MBTL1CYP2C9HPGDCYP2C19MMP2
SCHEMBL714334 0.79 L3MBTL1 (0.50) L3MBTL1IAPPLMNAAKR1B1CA12
SCHEMBL6805430 0.79 L3MBTL1 (0.57) L3MBTL1IAPPLMNAAKR1B1CYP3A4
Naphthalene SCHEMBL28357626 0.78 LMNA (0.44) L3MBTL1CYP2C9HPGDCYP2C19LMNA
Chlorobenzene SCHEMBL28322357 0.78 MAPT (0.43) L3MBTL1CYP2C9HPGDCYP2C19LMNA
SCHEMBL11805638 0.77 GABRA1 (0.41) L3MBTL1APOBEC3GGABRA1GABRB2MAPT
Benzene SCHEMBL10992898 0.77 L3MBTL1 (0.60) L3MBTL1IAPPLMNAAKR1B1CYP3A4
SCHEMBL7829200 0.76 SLC6A4 (0.59) L3MBTL1CYP2C9HPGDCYP2C19MMP2
Bromobenzene SCHEMBL28354245 0.74 L3MBTL1 (0.43) L3MBTL1CYP2C9HPGDCYP2C19MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694470-B Preparation process of sertaconazole nitrate 海南海神同洲制药有限公司 2022-11-18 CN claimed
CN-112694470-A Preparation process of sertaconazole nitrate 海南海神同洲制药有限公司 2021-04-23 CN claimed
CN-112694470-B Preparation process of sertaconazole nitrate 海南海神同洲制药有限公司 2022-11-18 CN disclosed
CN-113651796-A Preparation method of sertaconazole nitrate intermediate 海南海神同洲制药有限公司 2021-11-16 CN disclosed
CN-113501814-A Method for purifying sertaconazole nitrate 海南海神同洲制药有限公司 2021-10-15 CN disclosed
CN-113501815-A Preparation method of sertaconazole nitrate crystal form 海南海神同洲制药有限公司 2021-10-15 CN disclosed
CN-112694470-A Preparation process of sertaconazole nitrate 海南海神同洲制药有限公司 2021-04-23 CN disclosed