SCHEMBL28005221

SCHEMBL28005221

O=[SH](=O)ONc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
GAA P10253 1/20 0.47
KEAP1 Q14145 1/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
RECQL P46063 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL16415106 0.74 KDM4E (0.52) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL2980135 0.74 RAB9A (0.53) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL28778126 0.73 KDM4E (0.47) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL4292232 0.73 KDM4E (0.56) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL10978305 0.71 ALDH1A1 (0.52) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL8913273 0.70 KEAP1 (0.51) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL6583532 0.70 KDM4E (0.62) KDM4EGAAHPGDALDH1A1CYP3A4
SCHEMBL6750341 0.70 KDM4E (0.53) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL28939376 0.70 CA12 (0.56) KDM4EGAAKEAP1HPGDALDH1A1
SCHEMBL17227605 0.70 KEAP1 (0.47) KDM4EGAAKEAP1HPGDALDH1A1

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-107148574-A For instructing the major adverse cardiac event in subject or the hGH of the prevention of angiocardiopathy to determine 思芬构技术有限公司 2017-09-08 CN disclosed
CN-104603214-B Ink and method for ink-jet printing textile fibre materials 亨斯迈先进材料(瑞士)有限公司 2017-08-08 CN disclosed
CN-102575287-B Methods and compositions involving ALK fusions for diagnosis and treatment of cancer 因赛特遗传学公司 2016-11-16 CN disclosed
CN-104603214-A Ink and method for ink-jet printing textile fibre materials HUNTSMAN ADV MAT SWITZERLAND 2015-05-06 CN disclosed