SCHEMBL9502716

SCHEMBL9502716

[O]C1CCC(CCNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.61
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 7/20 0.53
PKM P14618 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KEAP1 Q14145 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL8394585 0.94 GBA1 (0.69) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL8391575 0.87 GBA1 (0.60) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL8393373 0.87 GBA1 (0.60) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL9502721 0.86 GBA1 (0.59) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL8391910 0.86 GBA1 (0.58) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL8397048 0.86 GBA1 (0.58) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL9502641 0.84 GBA1 (0.57) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL8395503 0.84 ALDH1A1 (0.66) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL9257301 0.84 ALDH1A1 (0.58) GBA1MAPK1ALDH1A1PKMLMNA
SCHEMBL17205770 0.83 GBA1 (0.55) GBA1MAPK1ALDH1A1PKMLMNA

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-0361113-B1 SULFONAMIDOALKYL CYCLOALKANE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS Roche Diagnostics GmbH (DE) 1993-07-07 EP claimed