SCHEMBL3971680

SCHEMBL3971680

CC(C)(C)Nc1nc(-c2ccc(Cl)c(F)c2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.65
XIAP P98170 1/20 0.46
ALOX5 P09917 2/20 0.45
VCP P55072 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ATM Q13315 1/20 0.44
CFTR P13569 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3977673 0.86 ABL1 (0.62) ABL1XIAPALOX5VCPNPC1
SCHEMBL24590269 0.80 NPY5R (0.57) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL19625338 0.79 ABL1 (0.55) ABL1XIAPNPC1RAB9AMEN1
SCHEMBL19627004 0.77 ABL1 (0.59) ABL1NPC1RAB9AMEN1KMT2A
SCHEMBL25242184 0.75 RAB9A (0.61) ABL1ALOX5NPC1RAB9AMEN1
SCHEMBL24590258 0.75 ALOX5 (0.56) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL4077412 0.75 ABL1 (0.57) ABL1NPC1RAB9AMEN1KMT2A
SCHEMBL24590319 0.74 ALOX5 (0.59) ALOX5VCPNPC1RAB9AMEN1
SCHEMBL24590248 0.74 MEN1 (0.64) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL24590270 0.74 MAPT (0.62) ALOX5VCPNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed