SCHEMBL6169765

SCHEMBL6169765

COC(=O)c1nc(SC)ncc1C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.40
SYK P43405 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL21617345 0.82 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL13716846 0.82 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL29439591 0.82 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL628538 0.82 KMT2A (0.47) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL4225491 0.82 KMT2A (0.69) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL14864593 0.81 MEN1 (0.53) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6171056 0.81 MEN1 (0.67) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL17034341 0.81 KMT2A (0.46) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL12126827 0.80 NPC1 (0.50) KMT2AMEN1NPC1ALDH1A1L3MBTL1
SCHEMBL13716857 0.80 KMT2A (0.45) KMT2AMEN1NPC1ALDH1A1L3MBTL1

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-6914160-B1 Oxytocin inhibitors PFIZER INC (US) 2005-07-05 US disclosed
EP-1537085-A1 OXYTOCIN INHIBITORS Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2004020414-A1 OXYTOCIN INHIBITORS PFIZER LIMITED (GB) 2004-03-11 WO disclosed