SCHEMBL5505340

SCHEMBL5505340

CCCN1C(=O)Cc2cc(N)cc(F)c21.[Fe]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.37
ATAD2 Q6PL18 1/20 0.35
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
CHRM1 P11229 2/20 0.31
PGR P06401 1/20 0.31
NOS1 P29475 1/20 0.30
BRD4 O60885 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL5001377 0.98 CYP19A1 (0.38) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1
SCHEMBL4997606 0.86 ATAD2 (0.44) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1
SCHEMBL4997675 0.85 ATAD2 (0.31) ATAD2
SCHEMBL5511206 0.80 BMPR1B (0.41) ATAD2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL5004930 0.78 BMPR1B (0.42) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1
SCHEMBL5509422 0.78
SCHEMBL5004922 0.77 MEN1 (0.34) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1
SCHEMBL4997030 0.76 ALDH1A1 (0.37) PGRADRA2AADRA2BADRA2C
SCHEMBL5505351 0.75 ATAD2 (0.56) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1
SCHEMBL5116351 0.73 ATAD2 (0.57) CYP19A1ATAD2BMPR1BBMPR1ATGFBR1

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-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed