SCHEMBL28042450

SCHEMBL28042450

Br[Mg]Br.Fc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PTPN1 P18031 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 1/20 0.31
MAPK14 Q16539 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL433264 0.90 BCL2L1 (0.42) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL9559723 0.90 BCL2L1 (0.42) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL28875378 0.87 BCL2L1 (0.41) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL27283535 0.87 BCL2L1 (0.41) BCL2L1BADMAOBNPC1RAB9A
SCHEMBL20293242 0.85 CA1 (0.30) CA1CA2CA7CA9ACHE
SCHEMBL28270486 0.82 PTPN1 (0.30) PTPN1
SCHEMBL28256971 0.76 CA1 (0.42) NPC1RAB9ACA1CA2CA7
SCHEMBL208526 0.76 ALDH1A1 (0.35)
SCHEMBL17200849 0.76 ALDH1A1 (0.35)
SCHEMBL19471215 0.75 ALDH1A1 (0.47) BCL2L1NPC1RAB9ACA1CA2

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
CN-105101967-A Benzazepines as serotonin 5-ht2c receptor ligands and uses thereof ABT HOLDING CO 2015-11-25 CN disclosed