SCHEMBL28563602

SCHEMBL28563602

O=Cc1c(Br)cc(S(=O)(=O)O)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ING2 Q9H160 1/20 0.39
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA3 P07451 1/20 0.37
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 5/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
NT5E P21589 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL3136473 0.78 LCK (0.44) LCKFYNING2CA1CA2
SCHEMBL1041550 0.76 ING2 (0.52) LCKFYNING2CA1CA2
SCHEMBL1005171 0.74 ING2 (0.50) LCKFYNING2CA1CA2
SCHEMBL5028708 0.74 CA1 (0.67) LCKFYNING2CA1CA2
SCHEMBL22394918 0.74 ACP1 (0.47) LCKFYNING2CA1CA2
SCHEMBL7538727 0.74 LCK (0.41) LCKFYNING2TSHRSMN1; SMN2
SCHEMBL19616991 0.73 ERN1 (0.42) LCKTSHRERN1LMNATDP1
SCHEMBL3511720 0.73 CA1 (0.64) LCKFYNING2CA1CA2
SCHEMBL14399668 0.73 CYP1A2 (0.41) LCKFYNING2CA1CA2
SCHEMBL26777577 0.72 ALDH1A1 (0.41) CA1CA2TSHRSMN1; SMN2ERN1

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-109400453-B Preparation method of 2, 6-dibromobenzaldehyde 河南师范大学 2021-04-27 CN claimed
CN-109400453-B Preparation method of 2, 6-dibromobenzaldehyde 河南师范大学 2021-04-27 CN disclosed