SCHEMBL4494933

SCHEMBL4494933

CC1(C)COC(=O)N1c1nc(-c2ccc(F)c(F)c2F)cs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.44
IDH1 O75874 5/20 0.38
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4077526 0.84 PTPN1 (0.37) ARIDH1NPC1RAB9ASMN1; SMN2
SCHEMBL4075016 0.82 AR (0.43) ARIDH1PDE3BPDE3AMEN1
SCHEMBL4075653 0.81 AR (0.55) ARIDH1NPC1RAB9ASMN1; SMN2
SCHEMBL4076674 0.81 MAPT (0.52) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4084485 0.81 NPC1 (0.41) ARIDH1NPC1RAB9AMEN1
SCHEMBL4089532 0.80 ABL1 (0.47) ARIDH1NPC1RAB9ASMN1; SMN2
SCHEMBL4077279 0.80 IDH1 (0.37) ARIDH1NPC1RAB9AMEN1
SCHEMBL4077609 0.78 MAPT (0.52) ARIDH1NPC1RAB9ASMN1; SMN2
SCHEMBL4075308 0.78 MEN1 (0.50) ARNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4075167 0.77 ABL1 (0.47) ARIDH1NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618990-B2 4-[2-(4,4-Dimethyl-2-thioxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]benzonitrile; progesterone receptor (PR); contraception, treating or preventing fibroids, endometriosis, dysfunctional bleeding, uterine leiomyomata, polycystic ovary syndrome, or hormone-dependent carcinomas, hormone replacement therapy WYETH (US) 2009-11-17 US claimed