SCHEMBL7775795

SCHEMBL7775795

CCCCCCCCCCCOCCOCCc1cscc1CCOCCOCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CES2 O00748 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
NR5A1 Q13285 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
SCHEMBL2744875 1.00 MEN1 (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7775812 1.00 MEN1 (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2745434 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2745119 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2744564 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2744556 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2744778 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2745237 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2744700 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2744919 0.98 HTT (0.44) MEN1KMT2AHTTTHRBMAPT

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
EP-0885251-B1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AG (DE) 2001-08-16 EP disclosed
EP-0885251-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997032914-A1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed