SCHEMBL3971967

SCHEMBL3971967

CN(C)c1ccc(SS(=O)(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
HPGD P15428 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
HSP90AA1 P07900 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 3/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPT P10636 3/20 0.44
NOX1 Q9Y5S8 1/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL8705730 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL1134428 0.76 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL1817512 0.75 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL3818647 0.74 DNMT1 (0.57) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL6551466 0.74 DNMT1 (0.57) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL27333040 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL28095718 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL367652 0.74 DNMT1 (0.57) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL29009430 0.71 CYP2C9 (0.50) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL3240261 0.71 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130926-B A kind of preparation method of methylene blue 江苏恒润制药有限公司 2018-02-13 CN claimed
CN-105130926-A Preparation method of methylene blue Jiangsu hengrun pharmaceutical co ltd 2015-12-09 CN claimed
CN-105130926-B A kind of preparation method of methylene blue 江苏恒润制药有限公司 2018-02-13 CN disclosed
CN-105130926-A Preparation method of methylene blue Jiangsu hengrun pharmaceutical co ltd 2015-12-09 CN disclosed
WO-2009047534-A2 FUSED PHENOTHIAZINIUM COMPOUNDS, PREPARATION METHOD THEREOF AND USE AS PHOTOANTIMICROBIALS PHARMALUCIA LTD (GB) 2009-04-16 WO disclosed