SCHEMBL7068868

SCHEMBL7068868

CN1CCN(C=O)C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 1/20 0.39
HTR6 P50406 8/20 0.39
RECQL P46063 1/20 0.39
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.36
HSD11B1 P28845 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CREBBP Q92793 1/20 0.36
HTR2A P28223 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL28563678 0.70 HSP90AA1 (0.43) LMNAHTR2A
SCHEMBL6830687 0.68 HTR6 (0.57) POLBHTR6
SCHEMBL3563271 0.67 CA12 (0.56) CA12CA9CA2HTR6RECQL
SCHEMBL6829881 0.67 SLC2A1 (0.56) POLBHTR6ALDH1A1LMNAMAPT
SCHEMBL369194 0.66 CA12 (0.52) POLBCA12CA9CA2HTR6
SCHEMBL30276218 0.66 CA12 (0.52) POLBCA12CA9CA2HTR6
SCHEMBL13801415 0.66 CA12 (0.40) CA12CA9CA2HTR6RECQL
SCHEMBL28059442 0.66 CA12 (0.55) CA12CA9CA2HTR6RECQL
SCHEMBL28411710 0.65 NOD1 (0.53) POLBCA12CA9CA2HTR6
SCHEMBL6864954 0.65 CA12 (0.54) POLBCA12CA9CA2HTR6

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
WO-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed