SCHEMBL28056120

SCHEMBL28056120

Cc1cc(Br)cc(CI)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MAOB P27338 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
SCHEMBL4957876 0.82 PGK1 (0.42) ALDH1A1IDO1PGK1PGK2
SCHEMBL8340109 0.82 ALDH1A1 (0.40) TACR1ALDH1A1PGK1PGK2
SCHEMBL305652 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL30349373 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL12514812 0.78 TACR1 (0.41) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL1363875 0.76 TACR1 (0.44) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL378719 0.76 TACR1 (0.40) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL16954435 0.76 TACR1 (0.40) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL8148390 0.76 TACR1 (0.40) TACR1ALDH1A1MAPK1IDO1PGK1
SCHEMBL13590070 0.76 TACR1 (0.40) TACR1ALDH1A1MAPK1IDO1PGK1

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
CN-105392863-B Composition and light-emitting element using the same 住友化学株式会社 2018-08-03 CN disclosed
CN-105392863-A Composition and light-emitting element using the same SUMITOMO CHEMICAL CO 2016-03-09 CN disclosed