SCHEMBL6476010

SCHEMBL6476010

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)=CCO2)c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.81
ESR1 P03372 1/20 0.42
BRD4 O60885 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HSD17B3 P37058 1/20 0.39
HSD17B2 P37059 1/20 0.39
KIT P10721 1/20 0.39
MET P08581 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
PLCG1 P19174 1/20 0.38
PLCB3 Q01970 1/20 0.38

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
SCHEMBL4482936 0.90 HTR6 (0.81) HTR6ESR1KMT2ALMNAMEN1
SCHEMBL4480862 0.90 HTR6 (1.00) HTR6BRD4KMT2ALMNASMN1; SMN2
Water SCHEMBL4559431 0.89 HTR6 (0.98) HTR6BRD4KMT2ALMNASMN1; SMN2
Water SCHEMBL4559433 0.89 HTR6 (0.98) HTR6BRD4KMT2ALMNASMN1; SMN2
SCHEMBL4477508 0.83 HTR6 (0.80) HTR6BRD4KMT2ALMNASMN1; SMN2
SCHEMBL6475723 0.83 HTR6 (0.80) HTR6BRD4LMNAKDM4ECCNT1
SCHEMBL6472087 0.83 HTR6 (0.76) HTR6KMT2ALMNASMN1; SMN2HSD17B2
SCHEMBL3324653 0.79 HTR6 (0.72) HTR6BRD4
SCHEMBL6475761 0.72 ESR1 (0.46) HTR6ESR1BRD4KMT2ALMNA
SCHEMBL17495376 0.67 RORC (0.70)

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