SCHEMBL8770248

SCHEMBL8770248

CC(C)(C)OC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C#N)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FFAR1 O14842 4/20 0.40
CYP19A1 P11511 1/20 0.39
MLYCD O95822 1/20 0.39
EPHX2 P34913 1/20 0.38
MCHR1 Q99705 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
AR P10275 2/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL8770391 0.86 CYP19A1 (0.38) NPC1RAB9AMEN1KMT2ACYP19A1
SCHEMBL8770215 0.86 NPC1 (0.43) NPC1RAB9AMEN1KMT2AFFAR1
SCHEMBL8770327 0.86 NPC1 (0.43) NPC1RAB9AFFAR1EPHX2MCHR1
SCHEMBL8770581 0.85 MAPT (0.48) NPC1RAB9AMEN1KMT2AMLYCD
SCHEMBL8770325 0.76 MAPT (0.39) NPC1RAB9AMEN1KMT2AMCHR1
SCHEMBL8770323 0.74 KMT2A (0.52) NPC1RAB9AMEN1KMT2AMLYCD
SCHEMBL8770181 0.74 KMT2A (0.52) NPC1RAB9AMEN1KMT2AMLYCD
SCHEMBL8770365 0.74 PTPN1 (0.42) NPC1RAB9AMEN1KMT2AAR
SCHEMBL8770331 0.72 F2 (0.39) NPC1RAB9AMEN1KMT2AITGB1
SCHEMBL8770309 0.72 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AITGB1

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