SCHEMBL30587708

SCHEMBL30587708

N[C@@H]1C[C@]1(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MAOA P21397 4/20 0.48
GAA P10253 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
PLA2G7 Q13093 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
HTR6 P50406 1/20 0.38
APOBEC3G Q9HC16 1/20 0.36
PSEN1 P49768 1/20 0.36

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
SCHEMBL22026800 0.71 GAA (0.52) GAAMCOLN3CA12CA1CA2
SCHEMBL16865181 0.68 GAA (0.48) GAAMCOLN3CA12CA1CA2
SCHEMBL21275791 0.68 KMT2A (0.48) GAAALDH1A1TSHRMAPTMEN1
SCHEMBL2949828 0.67 GAA (0.51) GAAMCOLN3PSEN1PSEN2APH1B
SCHEMBL777178 0.67 GAA (0.47) GAAMCOLN3CA12CA1CA2
SCHEMBL23720024 0.67 GAA (0.47) GAAMCOLN3CA12CA1CA2
SCHEMBL22063191 0.67 GAA (0.47) GAAMCOLN3CA12CA1CA2
SCHEMBL3240736 0.67 GAA (0.47) GAAMCOLN3CA12CA1CA2
SCHEMBL16865174 0.66 GAA (0.83) GAAMCOLN3CA12CA1CA2
SCHEMBL15542348 0.66 MAOB (1.00) MAOBMAOAHTR2AHTR2C

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-113493386-B Novel high-selectivity asymmetric synthesis process of 2-fluorocyclopropylamine 北京桦冠生物技术有限公司 2023-09-26 CN disclosed