SCHEMBL28101145

SCHEMBL28101145

Cc1ccc(SCc2ccccc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ DAO P14920 1/20 0.49
▸ METAP2 P50579 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 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
SCHEMBL10847537 0.88 DAO (0.51) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL14865087 0.85 DAO (0.54) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL4612802 0.81 DAO (0.47) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL28497830 0.81 GAA (0.54) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL28502919 0.81 NPC1 (0.55) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL11295149 0.81 KMT2A (0.51) SMN1; SMN2MAPTALDH1A1LMNADAO
SCHEMBL7508466 0.80 MAOB (0.60) L3MBTL1SMN1; SMN2TDP1MAPTALDH1A1
SCHEMBL11205707 0.80 DAO (0.50) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL3522886 0.80 DAO (0.47) L3MBTL1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28543149 0.78 HPGD (0.58) SMN1; SMN2TDP1MAPTALDH1A1LMNA

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-112521240-B Synthesis method of asymmetric thioether 扬州大学 2023-06-30 — — CN disclosed
CN-112521240-A Method for synthesizing asymmetric thioether 扬州大学 2021-03-19 — — CN disclosed
CN-106008298-A Green method for preparing asymmetric thioether from alcohol and mercaptan 温州大学 2016-10-12 — — CN disclosed
Send feedback