SCHEMBL7184508

SCHEMBL7184508

Nc1cccc(Sc2ccc(N)c(Br)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 1/20 0.41
S100A10 P60903 1/20 0.41
PDE7A Q13946 3/20 0.40
CYP3A4 P08684 3/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALDH1A1 P00352 5/20 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
SCHEMBL941988 0.86 CA12 (0.45) ANXA2S100A10PDE7ACYP3A4RECQL
SCHEMBL4608930 0.85 MAOA (0.43) ANXA2S100A10CYP3A4TSHRMAPK1
SCHEMBL8153970 0.83 MAOA (0.42) ANXA2S100A10CYP3A4TSHRMAPK1
SCHEMBL7858671 0.82 ANXA2 (0.44) ANXA2S100A10PDE7ACYP3A4CASP1
SCHEMBL7194593 0.82 MAPK1 (0.58) ANXA2S100A10PDE7ACYP3A4TSHR
SCHEMBL1098809 0.82 ANXA2 (0.55) ANXA2S100A10PDE7ACYP3A4CASP1
SCHEMBL29436321 0.82 CYP3A4 (0.58) ANXA2S100A10PDE7ACYP3A4CASP1
SCHEMBL125522 0.82 CYP3A4 (0.58) ANXA2S100A10PDE7ACYP3A4CASP1
SCHEMBL7195456 0.81 CYP3A4 (0.42) ANXA2S100A10PDE7ACYP3A4CASP1
SCHEMBL7189471 0.80 CYP3A4 (0.35) ANXA2S100A10CYP3A4TSHRMAPK1

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed