SCHEMBL22462074

SCHEMBL22462074

CC(C)(C)[Si](C)(C)Oc1cnc(C(=O)O)c(CBr)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
PREP P48147 3/20 0.33
DRD2 P14416 1/20 0.30

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
SCHEMBL21040762 0.86 CYP4F2 (0.34) CA12CA1CA9PREPDRD2
SCHEMBL26144373 0.79 PREP (0.36) CA12CA1CA9PREP
SCHEMBL28613347 0.76 CA12 (0.43) CA12CA1CA9PREPDRD2
SCHEMBL22477325 0.75 KDM4E (0.33) CA12CA1CA9PREP
SCHEMBL28097280 0.71 KDM4E (0.40)
SCHEMBL30372270 0.71 KDM4E (0.40)
SCHEMBL24420805 0.70 CA12 (0.43) CA12CA1CA9PREP
SCHEMBL21041127 0.70 CA12 (0.37) CA12CA1CA9PREPDRD2
SCHEMBL31026531 0.70 CA12 (0.33) CA12CA1CA9PREP
SCHEMBL7308992 0.69 CA12 (0.43) CA12CA1CA9PREP

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
EP-3715341-A1 HALO-ALLYLAMINE SSAO/VAP-1 INHIBITOR AND USE THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2020-09-30 EP disclosed