SCHEMBL29014180

SCHEMBL29014180

COc1ccc(C=CC(=O)c2ccc(OCCCCBr)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.71
F3 P13726 2/20 0.71
MAOA P21397 3/20 0.67
ABCG2 Q9UNQ0 2/20 0.64
MAPT P10636 4/20 0.64
XDH P47989 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 2/20 0.64
P4HB P07237 1/20 0.64
CALM1 P0DP23 1/20 0.64
RAB9A P51151 1/20 0.64
NPC1 O15118 1/20 0.63
LMNA P02545 1/20 0.63
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
BCHE P06276 2/20 0.62
HSPD1 P10809 1/20 0.62
TNFRSF1A P19438 1/20 0.62
HSPE1 P61604 1/20 0.62

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
SCHEMBL31463109 0.97 MAOB (0.71) MAOBF3MAOAABCG2MAPT
SCHEMBL29014268 0.97 MAOB (0.71) MAOBF3MAOAABCG2MAPT
SCHEMBL29014210 0.90 MAOB (0.71) MAOBMAOAABCG2MAPTBCHE
SCHEMBL7058882 0.88 MAOB (0.70) MAOBF3MAOAABCG2MAPT
SCHEMBL10534582 0.88 ABCG2 (0.74) MAOBF3MAOAABCG2MAPT
SCHEMBL10534587 0.88 ABCG2 (0.74) MAOBF3MAOAABCG2MAPT
SCHEMBL7058879 0.88 MAOB (0.70) MAOBF3MAOAABCG2MAPT
SCHEMBL29014173 0.88 MAOB (0.71) MAOBMAOAABCG2BCHECYP1B1
SCHEMBL3001785 0.87 MAOB (0.70) MAOBABCG2BCHETNFRSF1ACYP1B1
SCHEMBL3003871 0.87 MAOB (0.70) MAOBABCG2BCHETNFRSF1ACYP1B1

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-116217461-B Chalcone derivative containing indole structure and preparation method and application thereof 贵州大学 2024-10-18 CN disclosed
CN-116217461-A Chalcone derivative containing indole structure and preparation method and application thereof 贵州大学 2023-06-06 CN disclosed