SCHEMBL8523852

SCHEMBL8523852

O=C1SC(Cc2ccccc2)C(=O)N1OCCN1CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
USP2 O75604 1/20 0.44
CDK4 P11802 1/20 0.44
ALOX15 P16050 1/20 0.44
CCND1 P24385 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.37
DRD2 P14416 2/20 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
SCHEMBL7834886 0.76 MEN1 (0.37) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL6032172 0.72 MAPT (0.53) ALDH1A1KMT2AMAPTKDM4EPOLB
SCHEMBL8523856 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1USP2CDK4
SCHEMBL8523887 0.72 MAPT (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL8524315 0.72 FFAR1 (0.53) ALDH1A1KMT2ACDK4CCND1MAPT
SCHEMBL30385807 0.71 HRH3 (0.59) ALDH1A1KMT2AMEN1ALOX15MAPT
SCHEMBL291316 0.71 HRH3 (0.59) ALDH1A1KMT2AMEN1ALOX15MAPT
SCHEMBL7469293 0.70 MAPT (0.56) KMT2AMEN1MAPTKDM4EPOLB
SCHEMBL8687360 0.70 PPARG (0.48) ALDH1A1MAPTKDM4EL3MBTL1NPC1
SCHEMBL8523430 0.67 MAPT (0.36) ALDH1A1KMT2AMEN1MAPTKDM4E

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
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US claimed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed