SCHEMBL28847179

SCHEMBL28847179

[N-]=[N+]=NC(=CCCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.43
▸ FFAR1 O14842 2/20 0.38
▸ FFAR4 Q5NUL3 2/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ PPARD Q03181 1/20 0.35
▸ GRIK1 P39086 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PLAAT3 P53816 1/20 0.32
▸ PLAAT5 Q96KN8 1/20 0.32
▸ PLAAT2 Q9NWW9 1/20 0.32
▸ PLAAT4 Q9UL19 1/20 0.32
▸ COPS5 Q92905 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ ALB P02768 1/20 0.32

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
SCHEMBL28133636 0.87 GRIK1 (0.46) GPR52FFAR1GRIK1
SCHEMBL28159928 0.86 GRIK1 (0.37) GRIK1
SCHEMBL28129210 0.82 FFAR1 (0.44) GPR52FFAR1FFAR4POLBTAAR1
SCHEMBL28168829 0.82 GPR52 (0.32) GPR52
SCHEMBL28159931 0.78 GPR52 (0.47) GPR52FFAR1FFAR4TAAR1
SCHEMBL28160455 0.74 AKR1C3 (0.39) POLBCTDSP1
SCHEMBL28849286 0.74 TDP1 (0.33) GPR52POLB
SCHEMBL28169295 0.74 FFAR4 (0.36) GPR52FFAR4POLB
SCHEMBL441351 0.73 GPR52 (0.50) GPR52FFAR1FFAR4PDPK1PPARD
SCHEMBL1919934 0.73 GPR52 (0.50) GPR52FFAR1FFAR4PDPK1PPARD

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-104860867-B The dione compounds of 2,3 2 substitution 1H benzo [f] indoles 4,9 and its preparation method 浙江大学 2017-06-13 — — CN disclosed
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