SCHEMBL28224564

SCHEMBL28224564

COC(=O)c1ccc(C/C=C/Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
MAPT P10636 3/20 0.51
CYP4A11 Q02928 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP4F2 P78329 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL28744029 1.00 LOXL2 (0.56) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL9133770 0.84 LOXL2 (0.62) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL8180714 0.83 LOXL2 (0.56) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL1012811 0.83 LOXL2 (0.61) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL8180716 0.83 LOXL2 (0.56) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL10638128 0.83 LOXL2 (0.56) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL223801 0.82 LOXL2 (0.63) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL29158562 0.81 LOXL2 (0.54) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL29158561 0.81 LOXL2 (0.54) LOXL2MAPTCYP4A11MEN1KMT2A
SCHEMBL10587878 0.80 LOXL2 (0.61) LOXL2MAPTCYP4A11MEN1KMT2A

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-108101826-B Indole-substituted alkylamine compound and application thereof 华东理工大学 2022-05-10 CN disclosed
CN-108101826-A Indoles substituted alkylamine class compound and application thereof 华东理工大学 2018-06-01 CN disclosed