SCHEMBL8770197

SCHEMBL8770197

COC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C(N)=S)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 8/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL8770183 1.00 NPC1 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770627 0.90 EPHX2 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770283 0.89 NPC1 (0.46) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770257 0.89 NPC1 (0.44) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770638 0.88 NPC1 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770227 0.88 NPC1 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL7280476 0.83 KMT2A (0.50) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL8770181 0.83 KMT2A (0.52) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770653 0.83 NPC1 (0.51) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL8770323 0.83 KMT2A (0.52) NPC1RAB9APOLBKMT2AMEN1

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed