SCHEMBL21118676

SCHEMBL21118676

BrC1=CC(Oc2cccc(Br)c2)=CCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOB P27338 7/20 0.37
EGFR P00533 3/20 0.36
ABCG2 Q9UNQ0 1/20 0.34
KDR P35968 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
SCHEMBL457828 0.72 MAOB (0.54) SLC6A2SLC6A4SLC6A3MAOBEGFR
SCHEMBL3842164 0.70 MAOB (0.52) SLC6A2SLC6A4SLC6A3MAOBEGFR
SCHEMBL3839157 0.68 ALDH1A1 (0.54) MAOBEGFRKDR
SCHEMBL3838974 0.68 ALDH1A1 (0.54) MAOBEGFRKDR
SCHEMBL30020579 0.67 LTA4H (0.57) MAOBEGFRABCG2KDR
SCHEMBL29530517 0.67 MAOB (0.48) SLC6A2SLC6A4SLC6A3MAOBEGFR
SCHEMBL5434 0.67 LTA4H (0.57) MAOBEGFRABCG2KDR
SCHEMBL3838956 0.67 SMN1; SMN2 (0.58) MAOBEGFRKDR
SCHEMBL18978437 0.66
SCHEMBL7265752 0.65 MAOB (0.55) MAOBEGFRABCG2KDR

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-3502117-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-16 EP disclosed
EP-3502117-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-06-26 EP disclosed