SCHEMBL28652104

SCHEMBL28652104

CNc1ccc2c(c1)Cc1ccccc1S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 3/20 0.36
HTR2C P28335 3/20 0.36
ADRA2A P08913 1/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL27484766 0.77 SNCA (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3850258 0.77 ALDH1A1 (0.53) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
Thioxanthene SCHEMBL29398766 0.77 ALDH1A1 (0.61) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
Thioxanthene SCHEMBL8717 0.77 ALDH1A1 (0.61) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL29829120 0.77 ALDH1A1 (0.61) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL125602 0.77 ALDH1A1 (0.61) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL28639550 0.75 ALDH1A1 (0.59) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
Thioxanthene SCHEMBL31106427 0.74 ALDH1A1 (0.59) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
Thioxanthene SCHEMBL28542371 0.74 ALDH1A1 (0.59) HPGDL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL18311802 0.74 ALDH1A1 (0.59) HPGDL3MBTL1ALDH1A1KDM4EKMT2A

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-113637135-B Thiourethane polymers, methods of synthesis and use in additive manufacturing techniques 德州系统大学董事会 2022-09-06 CN disclosed
CN-108779225-B Thiourethane polymers, methods of synthesis and use in additive manufacturing techniques 德州系统大学董事会 2021-11-19 CN disclosed
CN-113637135-A Thiourethane polymers, methods of synthesis and use in additive manufacturing techniques 德州系统大学董事会 2021-11-12 CN disclosed