SCHEMBL9100048

SCHEMBL9100048

CCCCCCCCOc1ccc(N(C(=O)CC(=O)OCC)c2nc(-c3ccc(F)cc3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
ATP4A P20648 7/20 0.43
ATP4B P51164 7/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
ENPP2 Q13822 2/20 0.40
MAPK14 Q16539 1/20 0.39
FAAH O00519 3/20 0.39

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
SCHEMBL4655600 0.94 KMT2A (0.48) KMT2AMAPTMEN1PTPN2PTPN1
SCHEMBL4655485 0.88 KMT2A (0.50) KMT2AMAPTMEN1PTPN2PTPN1
SCHEMBL5424455 0.87 KMT2A (0.48) KMT2AMAPTMEN1PTPN2PTPN1
SCHEMBL4655643 0.86 MAPK14 (0.52) KMT2AMAPTMEN1ATP4AATP4B
SCHEMBL4656600 0.86 MAPK14 (0.52) KMT2AMAPTMEN1ATP4AATP4B
SCHEMBL5426480 0.86 MAPK14 (0.52) KMT2AMAPTMEN1ATP4AATP4B
SCHEMBL5424594 0.81 KMT2A (0.42) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL4655525 0.79 POLB (0.41) KMT2AMAPTMEN1ATP4AATP4B
SCHEMBL5427749 0.78 MAPT (0.40) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL5424346 0.78 L3MBTL1 (0.46) KMT2AMAPTMEN1ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP claimed