SCHEMBL6472057

SCHEMBL6472057

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)CCO2)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
KMT2A Q03164 2/20 0.44
HTR6 P50406 3/20 0.44
PGR P06401 6/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6473187 0.89 MAPT (0.54) PKMKMT2AHTR6ALDH1A1MAPT
SCHEMBL4486179 0.89 HTR6 (0.55) PKMKMT2AHTR6ALDH1A1MAPT
SCHEMBL6476587 0.86 MAPT (0.54) PKMKMT2AHTR6PGRALDH1A1
SCHEMBL6475761 0.83 ESR1 (0.46) PKMKMT2AHTR6KDM4EALDH1A1
SCHEMBL16551093 0.79 HTR6 (0.64) PKMHTR6PGR
SCHEMBL6475723 0.74 HTR6 (0.80) PKMHTR6PGRKDM4EALDH1A1
SCHEMBL16551615 0.71 HTR6 (0.61) PKMKMT2AHTR6ALDH1A1MEN1
SCHEMBL13865317 0.70 GAA (0.41) KMT2AKDM4EALDH1A1MAPTLMNA
SCHEMBL5781207 0.69 HTR6 (0.74) PKMHTR6PGRMAPTLMNA
SCHEMBL16551297 0.69 HTR6 (0.53) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO disclosed