SCHEMBL28677231

SCHEMBL28677231

Clc1ccc(C(Br)(Br)CBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
MIF P14174 1/20 0.40
GSK3B P49841 1/20 0.38
CYP19A1 P11511 6/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KIF11 P52732 1/20 0.35
IDO1 P14902 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL28678751 0.84 SRD5A2 (0.52) TSHRMAPK1LMNAMIFGSK3B
SCHEMBL3459152 0.76 CYP2A6 (0.44) TSHRMAPK1CYP2A6GSK3BIDO1
SCHEMBL4701959 0.75 CYP19A1 (0.41) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL10588674 0.72 KCNN4 (0.41) TSHRMAPK1KIF11
SCHEMBL16795606 0.72 MEN1 (0.37) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL15759500 0.72 KMT2A (0.58) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL22615031 0.70 MEN1 (0.40) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL95552 0.69 MEN1 (0.62) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL28693893 0.69 KIF11 (0.47) TSHRCYP2A6GSK3BCYP19A1KIF11
SCHEMBL11209461 0.68 KMT2A (0.54) MEN1KMT2ATSHRMAPK1HIF1A

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-113801005-A Preparation method of alpha-bromoacetophenone compound 浙江师范大学 2021-12-17 CN disclosed
CN-113800998-A Preparation method of (2-bromoethynyl) benzene compound 浙江师范大学 2021-12-17 CN disclosed