SCHEMBL9692371

SCHEMBL9692371

Cc1ccc(S(=O)(=O)OCCC2Cc3cc(F)ccc3OC2(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR1 P21554 4/20 0.33
HIF1A Q16665 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAOB P27338 2/20 0.31

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
SCHEMBL9692319 0.85 LMNA (0.36) CA12CA1CA9SMN1; SMN2
SCHEMBL10517728 0.82 KCNE1 (0.34) KCNE1KCNQ1HIF1AESR1
SCHEMBL9692756 0.75 HIF1A (0.37) KCNE1KCNQ1HIF1ASLC6A2
SCHEMBL9370374 0.73 MAOB (0.39) KCNE1KCNQ1SMN1; SMN2NPSR1CNR1
SCHEMBL9692444 0.70 HIF1A (0.39) KCNE1KCNQ1NPSR1HIF1A
SCHEMBL15348113 0.70 CA12 (0.39) CA12CA1CA9SMN1; SMN2ESR1
SCHEMBL10513345 0.69 MEN1 (0.32) HIF1AESR1ESR2MAOB
SCHEMBL8863992 0.68 CA2 (0.47) KCNE1KCNQ1CNR1SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL9692351 0.68 SMN1; SMN2 (0.38) KCNE1KCNQ1CA12CA9SMN1; SMN2
SCHEMBL6221876 0.67 KMT2A (0.49) CA12CA1CA9SMN1; SMN2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
EP-0322361-A2 Hydrogenated 1-benzooxacycloalkyl pyridine-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed