SCHEMBL7051554

SCHEMBL7051554

[O]CCOc1ccccc1[S]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTK2B Q14289 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6722560 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL2643399 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL1402282 0.78 CYP1A2 (0.47) ALDH1A1HTTKDM4ELMNAMAPT
SCHEMBL543714 0.77 CYP1A2 (0.60) HPGDLMNAMAPTGAAL3MBTL1
SCHEMBL7055886 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDHTTKDM4E
SCHEMBL6003210 0.75 CYP1A2 (0.53) LMNAMAPTGAANPSR1L3MBTL1
SCHEMBL9440922 0.74 LMNA (0.61) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL2089979 0.74 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2HPGDKDM4ENPC1
SCHEMBL2094935 0.74 MEN1 (0.58) ALDH1A1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL28445770 0.74 RAB9A (0.59) ALDH1A1SMN1; SMN2HPGDHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116963570-A Double perovskite 牛津大学科技创新有限公司 2023-10-27 CN disclosed
CN-110372744-B Optoelectronic device comprising an organometallic perovskite with mixed anions 牛津大学科技创新有限公司 2023-08-29 CN disclosed
CN-108028320-B Double perovskite 牛津大学科技创新有限公司 2023-08-11 CN disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed