SCHEMBL31296435

SCHEMBL31296435

CC#CCN(CC#CC)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
GLA P06280 1/20 0.47
PYCR1 P32322 1/20 0.47
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLCG1 P19174 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL2398269 0.84 GLA (0.67) USP2GAAGLATSHRHSD17B10
SCHEMBL2932439 0.76 LMNA (0.70) TSHRLMNAHTTSMN1; SMN2SIGMAR1
SCHEMBL14798321 0.75 GLA (0.55) USP2GAAGLATSHRHSD17B10
SCHEMBL2398210 0.73 GLA (0.52) USP2GAAGLATSHRHTT
SCHEMBL2932532 0.73 CA9 (0.62) LMNAHTTSMN1; SMN2CA2CA1
SCHEMBL30212484 0.70 MEN1 (0.42) GLAPYCR1TSHRLMNAHTT
SCHEMBL2835133 0.69 SMN1; SMN2 (0.68) GAAGLALMNAHTTSMN1; SMN2
SCHEMBL3153575 0.69 VCAM1 (0.52) USP2TSHRLMNAHTTSMN1; SMN2
SCHEMBL116525 0.69 LMNA (0.59) LMNAHTTSMN1; SMN2PLCG1SIGMAR1
SCHEMBL6035034 0.68 LMNA (0.53) LMNAHTTSMN1; SMN2SIGMAR1NPC1

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-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed