SCHEMBL4539422

SCHEMBL4539422

Cc1ccc2sc3cc(C(=O)NN4CCN(C)CC4)ccc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ADORA2A P29274 1/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL5565326 0.83 KDM4E (0.47) CYP2D6CYP2C19ALDH1A1USP2MAPT
SCHEMBL473687 0.76 BCL2L1 (0.46) ALDH1A1SMN1; SMN2MAPTTHRBKDM4E
SCHEMBL4541593 0.75 CMA1 (0.48) ALDH1A1MAPTTHRBKDM4EPOLB
SCHEMBL31314634 0.75 CMA1 (0.48) ALDH1A1MAPTTHRBKDM4EPOLB
SCHEMBL487121 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2USP2MAPTTHRB
Hydrochloric Acid SCHEMBL487123 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTTHRBKDM4E
SCHEMBL14679114 0.74 CYP2D6 (0.73) HDAC8HDAC6CYP2D6CYP2C9CYP2C19
SCHEMBL14985633 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2USP2MAPTTHRB
SCHEMBL50803 0.71 CA12 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL29590299 0.71 CA12 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB

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
EP-2638027-B1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA SRL (IT) 2016-07-13 EP disclosed
US-8933142-B2 Low-extractable thioxanthones LAMBERTI SPA (IT) 2015-01-13 US disclosed
EP-2638027-A1 LOW-EXTRACTABLE THIOXANTHONES Lamberti SpA (IT) 2013-09-18 EP disclosed
US-20130237628-A1 LOW-EXTRACTABLE THIOXANTHONES IGM RESINS ITALIA S.R.L. (IT) 2013-09-12 US disclosed
WO-2012062692-A1 LOW-EXTRACTABLE THIOXANTHONES LAMBERTI SPA (IT) 2012-05-18 WO disclosed