SCHEMBL11054015

SCHEMBL11054015

NC(=O)c1c(Br)c(C(=O)O)c(Br)c(C(=O)O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7525615 0.91 F2 (0.35) F2PRSS1PRSS2PRSS3POLB
SCHEMBL19270495 0.88 POLB (0.41) F2PRSS1PRSS2PRSS3POLB
SCHEMBL7529954 0.85 CYP1A2 (0.40) F2PRSS1PRSS2PRSS3CYP1A2
Hydrochloric Acid SCHEMBL11052779 0.82 CYP1A2 (0.38) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL9450670 0.81 F2 (0.47) F2PRSS1PRSS2PRSS3POLB
SCHEMBL28187478 0.79 POLB (0.39) F2PRSS1PRSS2PRSS3POLB
SCHEMBL9419232 0.79 CYP1A2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL1613627 0.79 F2 (0.43) F2PRSS1PRSS2PRSS3CYP1A2
SCHEMBL27857867 0.79 F2 (0.41) F2PRSS1PRSS2PRSS3POLB
SCHEMBL10495686 0.79 CA1 (0.37) F2PRSS1PRSS2PRSS3POLB

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-4474747-A BROMO-AND I/DO-BENZENE COMPOUNDS GUERBET S.A. (FR) 1984-10-02 US disclosed