SCHEMBL7987004

SCHEMBL7987004

CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.33
PGR P06401 3/20 0.33
BRPF1 P55201 1/20 0.31
BRD4 O60885 1/20 0.30

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
SCHEMBL7833797 0.87 PSIP1 (0.33) PSIP1PGRBRPF1BRD4
SCHEMBL7212890 0.85 PGR (0.39) PSIP1PGRBRD4
SCHEMBL6695602 0.83 BRD4 (0.32) PSIP1PGRBRD4
SCHEMBL7881691 0.81 DDR1 (0.30)
SCHEMBL7888784 0.81 BCAT2 (0.31)
SCHEMBL7021154 0.81 BRPF1 (0.44) PGRBRPF1BRD4
SCHEMBL9679435 0.81 PPOX (0.35) PGRBRPF1
SCHEMBL8762906 0.81 BRAF (0.36)
SCHEMBL7893445 0.79
SCHEMBL5847120 0.78 BCAT1 (0.33)

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
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed
US-5900483-A Process for the separation of phenyluracil compounds NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-04 US disclosed