SCHEMBL27475467

SCHEMBL27475467

NC(=O)NSc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MTNR1A P48039 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
MMP3 P08254 1/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL11292166 0.78 LMNA (0.38) GAAKDM4EMTNR1ASIRT2SIRT1
SCHEMBL3078629 0.78 KDM4E (0.39) GAAKDM4EMTNR1ASIRT2SIRT1
Urea SCHEMBL27986443 0.77 KDM4E (0.50) GAAKDM4EMTNR1ASIRT2SIRT1
SCHEMBL6793982 0.76 KDM4E (0.48) GAAKDM4EMTNR1ASIRT2SIRT1
SCHEMBL27661025 0.76 MAPT (0.46) GAAKDM4ESIRT1ALDH1A1SMN1; SMN2
SCHEMBL9332916 0.76 TSHR (0.42) GAAKDM4EMTNR1ASIRT1ALDH1A1
SCHEMBL27837285 0.75 APOBEC3G (0.52) GAAKDM4EMTNR1ASIRT1ALDH1A1
SCHEMBL7265932 0.75 IFNAR1 (0.43) GAAKDM4ESIRT2SIRT1SIRT3
SCHEMBL4206138 0.74 POLB (0.43) GAAKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL27574868 0.74 ALDH1A1 (0.42) GAAALDH1A1SMN1; SMN2POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181070-C Urea substituted imidazoquinolines 3M 2004-12-22 CN claimed
CN-103159695-A Thiazole compound capable of restraining human immunodeficiency virus (HIV) replication and effective against drug-resistant HIV virus strains and preparation method and purpose thereof UNIV CAPITAL NORMAL 2013-06-19 CN disclosed
CN-101053823-A Poly (m-phenylene diamine) used as mercury ion adsorbent UNIV TONGJI (CN) 2007-10-17 CN disclosed
CN-1229360-C Preparation method of 2-(hydrocarbon) imido (amine)-4-thiazolidone UNIV CHINA PHARMA (CN) 2005-11-30 CN disclosed
CN-1189330-C Imaging media containing heat developable photosensitive microcapsule SIPIX IMAGING INC (US) 2005-02-16 CN disclosed
CN-1556106-A Preparation method of 2-(hydrocarbon) imido (amine)-4-thiazolidone 中国药科大学 2004-12-22 CN disclosed