SCHEMBL7523328

SCHEMBL7523328

Nc1c(Br)c(N)c(Br)c(C(=O)O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.35
PRSS1 P07477 3/20 0.35
PRSS2 P07478 3/20 0.35
PRSS3 P35030 3/20 0.35
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 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
SCHEMBL7525587 0.94 F2 (0.35) F2PRSS1PRSS2PRSS3KDM4E
Hydrochloric Acid SCHEMBL11061038 0.92 F2 (0.34) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7525615 0.85 F2 (0.35) F2PRSS1PRSS2PRSS3
SCHEMBL5555268 0.79 F2 (0.37) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL11055437 0.79 KDM4E (0.33) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL1035933 0.78 CYP1A2 (0.47) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL7529954 0.78 CYP1A2 (0.40) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL11052629 0.76 LMNA (0.40) KDM4EKMT2A
SCHEMBL588970 0.76 CYP1A2 (0.45) F2PRSS1PRSS2PRSS3CYP1A2
Hydrochloric Acid SCHEMBL11052779 0.76 CYP1A2 (0.38) F2PRSS1PRSS2PRSS3CYP1A2

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
EP-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed