SCHEMBL8770627

SCHEMBL8770627

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
IDH1 O75874 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 3/20 0.45
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44

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 0.90 NPC1 (0.51) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL8770197 0.90 NPC1 (0.51) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL8770242 0.89 EPHX2 (0.51) EPHX2MAPTLMNAPOLBNPC1
SCHEMBL8770257 0.86 NPC1 (0.44) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL8770283 0.86 NPC1 (0.46) EPHX2MAPTLMNAPOLBNPC1
SCHEMBL8770347 0.84 EPHX2 (0.51) EPHX2MAPTLMNAPOLBNPC1
SCHEMBL22192691 0.82 NPC1 (0.65) EPHX2MAPTLMNAPOLBNPC1
SCHEMBL8377792 0.78 GAA (0.52) MAPTLMNAPOLBNPC1ALDH1A1
SCHEMBL8770227 0.78 NPC1 (0.51) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL8770638 0.78 NPC1 (0.51) MAPTPOLBNPC1RAB9ASMN1; SMN2

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